Chemistry
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Spectra & Spectral Data
This guide contains references to sources of spectral diagrams and data. The most popular resources are listed first, followed by additional titles in call number order. Please consult Sabio for information on techniques or overviews of spectral analysis, or for spectral categories not covered in this guide.
Spectra Online
A web database for organic structures and their nuclear magnetic resonance (nmr) spectra.
Sigma-Aldrich Chemical Company
A good resource for free online spectra. Easy to use search interface.
Mineral Spectroscopy Server (CalTech)
Covers hundreds of optical, infrared, and Raman spectra.
Includes IR spectra for over 7500 compounds, Mass spectra for over 10,000 compounds, UV/Vis spectra for over 400 compounds, Electronic and vibrational spectra for over 3000 compounds.
SDBS Integrated Spectral Data Base System for Organic Compounds
"SDBS is an integrated spectral database system for organic compounds, which includes 6 different types of spectra under a directory database of the compounds. The spectra are EI mass, 1H decoupled 13C NMR, 1H NMR pattern (90 and/or 400 MHz), 1H NMR parameter (300 MHz pattern generated), FT-IR, laser-Raman, and ESR."
UV/Vis Spectra Data Base of Atmospheric Constituents
A service to the scientific community sponsored by science-softCon. The data base contains more than 1200 spectra of about 120 atmospheric constituents and is accessible free-of-charge.
Infrared and Raman Spectra
Recommended Starting Points for print resources in the Library:
Sadtler standard IR spectra
QC453 .S21 Science Library
Indexes in separate volumes at call nos.
The handbook of infrared and Raman spectra of inorganic compounds and organic salts.
QC457 .N927 1997 Science Library
V. 1. Infrared and Raman spectral atlas of inorganic compounds and organic salts. Text and explanations -- v. 2. Infrared and Raman spectral atlas of inorganic compounds and organic salts. Raman spectra -- v. 3. Infrared and Raman spectral atlas of inorganic compounds and organic salts. Infrared spectra -- v. 4. Infrared spectra of inorganic compounds (3800-45 cm-1).
Handbook of organic compounds : volume 2, UV-Vis and NIR spectra; volume 3, IR and Raman spectra.QC462.85 H36 2001 Science Ref
Covers organic compounds, polymers, and surfactants. All spectra are presented in terms of wavenumber and transmittance. Spectra are also presented in terms of nanometers and absorbance space. Index in Volume 1.
Aldrich library of FT-IR spectra (3 volumes)
QD96 .I5 P66 1985 Science Ref
Additional Library Resources:
Infrared spectra of inorganic and coordination compounds
QC457 .N3 1970 Science Library
Wavelength standards in the infrared535.842 R215 1966 Science Library 5th Fl. South
Infrared spectra of polymers in the medium and long wavelength regions547.84 H925 1966 Science Library 5th Fl. South
Molecular spectra and molecular structure.
QC451 .H464 1950-1979 Science Library
Volume 1. Spectra of diatomic molecules. Volume 2. Infrared and Raman spectra
Infrared/standard collection. Cumulative and supplementary alphabetical indexQC453 .S213 and QC452 .S2132 Science Library
Infrared/standard collection. Cumulative and supplementary molecular formula index
QC453 .S214 and QC453 .S2142 Science Library
Inorganics and related compounds: Sadtler standard spectra IR grating inorganics
QC453 .S22 Science Ref (Current Issues Only)
Spectral data of natural products
QC453 .Y35 1970- Science Library
Contains UV, IR, NMR and mass spectra where available.
Raman spectra of molecules and crystals
QC454 .S9313 1972 Science Library
Absorption spectra in the infrared region
QC457 .A33 Science Ref
London, Butterworths, etc. v. 1-5 1974-1992
5 vols. Covers organic compounds.Infrared spectra and characteristic frequencies
QC457 .B49 1968 Science Library
Gases and vapors: a special collection of evaluated infrared spectra from the Coblentz Society
QC457 .C685 1980 Science Library
The Coblentz Society desk book of infrared spectra
QC457 .C685 1977 Science Library
The interpretation of vapor-phase infrared spectra
QC457 .N94 1984 Science Library
Regulated and major industrial chemicals : a special collection of infrared spectra from the Coblentz Society
QC457 .R43 1983 Science Library
Infrared and raman characteristic group frequencies : tables and charts
QC457 .S69 2001 Science Library
Infrared band handbook
QC457 .S983 1970 Science Library
TRC spectral data, infrared
QC457 .T72 Science Library
College Station, TX : Thermodynamics Research Center, Texas Engineering Experiment Station, The Texas A&M University System, 1985-.
Characteristic Raman frequencies of organic compounds
QC462.85 .D64 1974 Science Library
A guide to the complete interpretation of infrared spectra of organic structures
QC462.85 R64 1994 Science Library
Hazardous gases and vapors : infrared spectra and physical constants
QC462.85 .T48 1974 Science Library
Halogenated hydrocarbons: a special collection of infrared spectrafrom the Coblentz Society
QC463.H9 C6 1980 Science Library
Raman spectra of hydrocarbons
QC463.H9 S7 Science Library
Atlas of IR spectra of organophosphorus compounds : interpreted spectrograms
QC463.O72 A8513 1990 Science Library
Plasticizers and other additives: a special collection of infrared spectra from the Coblentz Society
QC463.P46 C6 1980 Science Library
Handbook of fourier transform Raman and infrared spectra of polymers
QC463.P5 K86 1998 Science Library
Infrared spectra handbook of common organic solvents
QC463.S72 I54 1983 Science Library
CRC handbook of high resolution infrared laboratory spectra of atmospheric interest
QC879.6 C17 1981 Science Library
Characteristic frequencies of chemical groups in the infrared
QD95 .F6 1963 Science Library
Flett, M. St. C. Amsterdam, New York, Elsevier Pub. Co., 1963
Interpreted infrared spectraQD95 .S97 1964-1967 v. 1 Science Ref, v. 2 Science Library
Infrared vapour spectra; group frequency correlations, sample handling and the examination of gas chromatographic fractionsQD95 .W416 1970 Science Library
Handbook of Vibrational Spectroscopy (5 volumes)QD96 .V53 H36 2002 Science Ref
Chalmers, John M. and Peter Griffiths. New York : Wiley, c2002
v. 1. Theory and instrumentation -- v. 2. Sampling techniques -- v. 3. Sample characterization and spectral data processing -- v. 4. Applications in industry, materials, and the physical sciences -- v. 5. Applications in life, pharmaceutical, and natural sciences.
Infrared spectra of minerals and related inorganic compoundsQD96.I5 G3 1975 Science Library
Infrared and ultraviolet spectra of some compounds of pharmaceutical interestQD96.I5 I52 1975 Science Ref
Infrared and Raman spectra of inorganic and coordination compoundsQD96.I5 N33 1997 Science Library
Earlier editions (1978 and 1986) also available at this call number.
Aldrich library of infrared spectraQD96.I5 P67 1981 Science Ref
8,000 spectra of organic functional groups.
Infrared analysis of polymers, resins, and additives: an atlas
QD139.P6 .H813 Science Library
Hummel, Dieter O. New York, Wiley-Interscience, 1969
Raman/IR atlas of organic compounds
QD272.S6 S3713 1989 Science Ref
2 vols. Covers about 1,000 compounds. Each page contains infrared, far infrared and Raman spectra of one compound.
Metal-ligand and related vibrations; a critical survey of the infrared and Raman spectra of metallic and organometallic compoundsQD475 .A55 1968 Science Library
Minerals in the infrared; a critical bibliography embracing the fields of: absorption, reflection, emission, transmission in minerals, and related materialsZ6033.M6 L9 1962 Science Library
Infrared absorption spectra; index of the journal literature 1945-1962
Z7144.S7 I6 Science Library
Mass Spectra
Table on meta-stable transitions for use in mass spectrometry
QC451 .B49 1965 Science Library
Atlas of mass spectral dataQC453 .S75 1969 Science Library
3 vols., each covering a range of molecular weights and molecular formulas. Low resolution mass spectra.
Spectral data of natural productsQC453 .Y35 1970 Science Library
Vol. 1 only. Arranged by chemical class. Contains UV, IR, NMR and mass spectra where available.
Mass spectrometry of peptidesQP551 .M32 1991 Science Library
Interpretation of mass spectraQC454.M3 M39 1993 Science Library
An eight peak index of mass spectra of compounds of forensic interestQC454.M3 E33 1983 Science Library
3,687 spectra of 2,787 compounds. Alphabetical name index, molecular weight index, and 8peak index.
Eight peak index of mass spectra: the eight most abundant ions in 66,720 mass spectra, indexed by molecular weight, elemental composition and most abundant ions.
QC454.M3 M36 1983 Science Library
For identification of unknowns. 3 vols. in several parts: 1) by ascending m.w., then elemental composition; 2) by ascending m.w., then m/z in order of decreasing abundance; 3) ascending m/z order. Numbers refer to separate collections. Covers 66,720 spectra.
The Wiley/NBS registry of mass spectral dataQC454. M3 M395 1989 Science Library
A combination of the revisions of the following two books and their data base versions: Registry of mass spectral data by Einar Stenhagen, Sixten Abrahamsson, and Fred W. McLafferty; and EPA/NIH mass spectral data base by S.R. Heller and G.W.A.
Ion mass spectraQC454 M3 W54 1974 Science Library
Mass spectral correlationsQD1 .A355 no.40, 1982 Science Library
Mass and abundance tables for use in mass spectrometryQD95 .B39 1963 Science Library
Mass spectrometry of inorganic and organometallic compoundsQD95 .L67 1973 Science Library
Compilation of mass spectral dataQD96.M3 .C67 1979 Science Ref
English/French. 10,000 organic compounds. 10peak spectral data. Indexes: molecular weight, molecular formula, fragmention value. Useful in identifying compound whose molecular weight is not accurately known.
Mass spectrometry of heterocyclic compoundsQD272.S6 .P67 1985 Science Library
Mass spectrometry of steroidsQD481 .Z37 1976 Science Library
Mass spectra and GC data of steroids : androgens and estrogens
QP572.A5 M34 1998 Science Library
CRC handbook of mass spectra of drugsRS189 .C7 1981 Science Library
8 peak EI index, molecular weight and alphabetical name indexes for EI and CI. Spectral diagrams for EI only, but spectral data for EI and CI.
Mass spectral and GC data of drugs, poisons, and their metabolitesRS189 .P425 1985 Science Ref
2 vol. Vol. I, detailed introduction, alphabetical list, list of retention indices, lict of potential poisons by molecular mass. Vol. II, spectral diagrams and indexes: compound name, common name, CAS Index Names, and CAS Registry Numbers.
Pharmaceutical mass spectra: a compilation of mass spectra of drugs, metabolites and other compounds of pharmaceutical interest.RS403 .P42 1985 Science Library
Prepared by R.E. Ardrey et al. London: The Pharmaceutical Press, 1985.1,100 spectra and data. Molecular weight index, 8peak index, and alphabetical index.
Mass spectrometry of soilsS593 .M4415 1996 Science Library
Mass spectrometry of pesticides and pollutantsSB960 .S23 1973 Science Library
Handbook of mass spectra of environmental contaminantsTD193 .H57 1992 Science Library
Mass spectrometry of priority pollutantsTD427.O7 .M53 1981 Science Library
Nuclear Magnetic Resonance Spectra
Recommended Starting Points for print resources in the Library:
Sadtler standard NMR spectra
QC453 .S25 Science Library
Sadtler standard carbon-13 NMR spectraQC454 .N8 S32 Science Ref
Aldrich library of C-13 and H-1 FT NMR spectraQC462.85 .A44 1993 Science Ref
Additional Library Resources:
JEOL high resolution NMR spectra
QC453 S251 1967 Science Library
225 spectra. Proton NMR at 60, 100 MHz; also some Fluorine19 NMR spectra.
Spectral data of natural productsQC453 .Y35 1970 Science Library
Arranged by chemical class. Contains UV, IR, NMR and mass spectra where available.
Nuclear magnetic resonance and electron spin resonance spectra; index for 1958-1963QC454 .H57 1965 Science Library
Proton NMR collection. Cumulative molecular formula index.
QC453 .S254 Science Ref
Index 1980 (Cumul.)
Proton NMR collection. Cumulative chemical class index.
QC453 .S255 Science Ref
Index 1980 (Cumul.)
Proton NMR collection. Cumulative molecular weight index.
QC 453 S25 Science Library
v.1-118. Looseleaf
Atlas of carbon 13 NMR dataQC462.C1 .B73 1979 Science Library
2 vols. plus index volume. Approx. 3000 compounds. Indexes: alphabetical, chemical class, molecular formula, molecular weight, chemical shift.
Carbon 13 NMR spectra; a collection of assigned, coded and indexed spectraQC462.C4 J64 1972 Science Library
Over 500 spectra. Code index (structural group), shift index, name index; spectra arranged in molecular formula order.
Compilation of reported F19 NMR chemical shifts, 1951 to mid-1967QC462.F5 D8 1970 Science Library
CRC handbook of phosphorus 31 nuclear magnetic resonance dataQC462.P1 C72 1991 Science Library
Carbon 13 NMR shift assignments of amines and alkaloidsQC463.A8 S5 Science Library
Shamma, M. and D. M. Hindenlang. New York: Plenum Press, 1979
TRC spectral data 13C nuclear magnetic resonanceQC463.C1 T72 1974 Science Library
Looseleaf, multivolume. Formula index in last volume.
NMR spectra of simple heterocyclesQC463.H4 .B37 1973 Science Library
TRC spectral data. 1H nuclear magnetic resonanceQC463.H9 A64 1984 Science Library
NMR spectra of polymers and polymer additivesQC463.P5 B73 2000 Science Library
Proton and carbon NMR spectra of polymersQC463.P5 P76 2003 Science Library
Compilation of reported 77Se NMR chemical shiftsQC464 .S45 K62 1996 Science Library
Handbook of NMR spectral parametersQC490 .B82 1979 Science Library
Tabulated high resolution chemical shifts and coupling constants for organic compounds according to spin system.
Nuclear magnetic resonance spectroscopy of boron compounds: abulated high resolution chemical shifts and coupling constants for organic compounds according to spin systemQC490 .N2 v.14 1978 Science Library
Noth, H. and B. Wrackmeyer. NMR, basic principles and progress, 14.
Handbook of proton NMR spectra and dataQC762 .H33 1985 Science Ref
Chemical shift ranges in carbon-13 NMR spectroscopyQD96.N8 B74 1982 Science Library
Handbook of high resolution multinuclear NMRQD96.N8 B75 1981 Science Library
NMR and the periodic tableQD96.N8 N17 Science Library
Arranged by common nuclei, then follows class in periodic table. Emphasis on chemical shifts.
The Aldrich library of NMR spectraQD96.N8 P68 1983 Science Ref
NMR band handbookQD291 .S97 1968 Science Library
13C NMR data for organometallic compounds
QD411 .M365 1981 Science Library
Mann, B. E. and B. F. Taylor. London: Academic, 1981
13C NMR of natural products
QD415 .R214 1992 Science Library
v. 1. Monoterpenes and sesquiterpenes v. 2. Diterpenes.
NMR data handbook for biomedical applicationsQP519.9.N83 .B43 1984 Science Library
UV and Visible Spectra
Recommended Starting Points:
UV-VIS atlas of organic compoundsQC462.85 .P47 1992 Science Library
Handbook of organic compounds. Volume 2. UV-Vis and NIR spectra (Index in Volume 1)QC462.85 .H36 2001 Science Ref
Covers organic compounds and polymers. All spectra are presented in terms of wavenumber and transmittance. Spectra are also presented in terms of nanometers and absorbance space. Index in Volume 1.
The Sadtler handbook of ultraviolet spectra
QC459 .S34 1979 Science Library
Approx. 500 UV spectra in a single volume.
Additional Library Resources:
Ultraviolet spectra of aromatic compounds
535.84 F89 1951 Science Library 5th Fl. South
An ultraviolet multiplet table
535.844 M821 1950 Science Library 5th Fl. South
Absorption spectra in the ultraviolet and visible regionQC437 .L322 1961-1979 Science Library
Organic electronic spectral data [1946-1989]QC437 .O65 Science Library
31 volumes containing references to the journal literature, plus absorption maximums and solvent for each compound.
Spectral data of natural productsQC453 .Y35 Science Library
Contains UV, IR, NMR and mass spectra where available.
TRC spectral data, ultraviolet and selected UV TRC spectral dataQC 459 .T72 1985 Science Library
UV atlas of organic compoundsQC459 .U852 1966-1971 Science Library
5 volumes. Also covers inorganic complexes with organic ligands.
Atlas of protein spectra in the ultraviolet and visible regionsQC463.P7 K5 1972-[84] Science Library
Ultraviolet and visible absorption spectra. Index for 1930-1963QD95 .U47 1956-[63] Science Library
Infrared and ultraviolet spectra of some compounds of pharmaceutical interest.QD96.I5 I52 1975 Science Library
Correlation tables for the structural determination of organic compounds by ultraviolet light absorptiometry.QD272.S6 P47 1974 Science Ref
Handbook of ultraviolet and visible absorption spectra of organic compoundsQD291 .H5 1967 Science Library
Spectra of nucleic acid compoundsQD431 .V483 1968 Science Library
Translation from Russian. Contains 65 spectra.
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