Finding Chemical Spectra and Spectral Data
General Reference Sources
This section lists general reference works, as well as spectra collections that contain two or more different types of spectra.
- Acronyms and abbreviations in molecular spectroscopy: an enzyclopedic [sic] dictionary.
- QC 454 M6 W46 1990 (Springer, 1990)
- Lengthy definitions, descriptions and applications of acronyms, abbreviations, and symbols used in all areas of spectroscopy, plus relevant literature citations.
- Bio-Rad KnowItAll Academic Edition
- This free Windows software package allows you to draw structures, import spectra and perform IR and Raman functional group analysis, and generate reports.
- CRC Atlas of spectral data and physical constants for organic compounds.
- QD 272 S6 G73 1975 (6 vols., 2nd ed., CRC, 1975)
- Tabular condensation of spectral data (IR, Raman, UV, 1H-NMR, 13C-NMR, MS) on 21,000 organic compounds, drawn from numerous published collections. Vol. 1 contains name/synonym directory, structures, and spectroscopic reference tables; vols. 2-4 contain the data tables; vols. 5-6 have indexes by molecular weight, melting and boiling point, WLN, and spectral data.
- Dictionary of inorganic compounds.
- Handbook Table (5 vols., Chapman & Hall, 1992)
- Substance entries in this multivolume handbook of inorganic/organometallic compounds list journal articles that contain spectral information. Indexed by name/synonym, formula, and registry number.
- Dictionary of organic compounds.
- Handbook Table (9 vols., 6th ed., Chapman & Hall, 1996)
- Substance entries in this multivolume handbook of organic compounds list journal articles that contain spectral information. Indexed by name/synonym, formula, and registry number.
- Dictionary of spectroscopy.
- QC 450.3 D46 1982 (2nd ed., Wiley, 1982)
- Brief explanations of terms most frequently used.
- Encyclopedia of spectroscopy.
- QC 450.3 P47 1995 (VCH, 1995)
- General illustrated definitions of concepts and techniques.
- Encyclopedia of spectroscopy and spectrometry.
- QD 95 E55 2000 (3 vols., Academic Press, 2000)
- 3-volume set with articles on historical overview, theory, methods and instrumentation, and applications of all types of spectroscopy.
- Handbook of data on organic compounds. (HODOC)
- Handbook Table (7 vols., 3rd. ed., CRC, 1994)
- Entries provide names, synonyms, structures, formulas (line and molecular), physical constants, and spectral data (IR, Raman, NMR, UV, Mass), as well as CAS registry numbers and Beilstein references. 3 volumes of indexes: vol. 7-- synonyms, vols. 8-9-- formula, mp, bp, mw, plus extensive spectral data indexes. Available online as Properties of Organic Compounds.
- Handbook of natural products data.
- QD 415.7 R34 1990 (Elsevier, 1990-94)
- 3-volume set with UV (and logε), IR, 1H-NMR and 13C-NMR spectral data.
- Handbook of organic compounds.
- QC 462.85 W675 2001 (3 vols., Academic Press, 2001)
- Compendium of methodology and information for organic materials, surfactants, and polymer spectra in the UV, visible, NIR, IR, and Raman regions. 2130 spectra in vols.2-3; alphabetical index in back of vol.1.
- Handbook of spectroscopy.
- QD 95 H27 (3 vols., CRC, 1974)
- Tables of data and references of available data in various fields of spectroscopy. Each volume is indexed separately.
- Handbook of vibrational spectroscopy.
- QD 96 V53 H36 2002 (5 vols., Wiley, 2002)
- Encyclopedic articles covering all aspects of infrared and Raman spectroscopy: theory, instrumentation, sampling techniques, sample characterization, data processing, and applications.
- Interpreting infrared, Raman, and nuclear magnetic resonance spectra.
- QD 95 N98 2001 (2 vols, Academic Press, 2001)
- Text by R.A. Nyquist.
- Molecular spectra and molecular structure.
- QC 451 H463 1945 (4 vols., Van Nostrand, 1945)
- Classic treatise by G. Herzberg. Vol. 1 = Spectra of diatomic molecules. Vol.2 = Infrared and raman spectra of polyatomic molecules. Vol. 3 = Electronic spectra and electronic structure of polyatomic molecules. Vol. 4 = Constants of diatomic molecules.
- Practical handbook of spectroscopy.
- QD 95 P73 1991 (CRC, 1991)
- A condensation of the above Handbook of Spectroscopy, containing tables of reference data in the fields of x-ray, atomic, IR, Raman, and UV spectroscopic methods, as well as electron spin resonance, mass absorption coefficients, activation analysis, etc.
- Roth collection of natural products data.
- QD 415 R68 1995 Reference (VCH, 1995)
- Concise descriptions of 75 plant-derived natural products with NMR, MS, and IR spectra.
- Spectra for the identification of monomers in food packaging.
- TX 571 P63 B87 1994 (Kluwer, 1994)
- Mass and infrared spectra for 166 monomers that can come into contact with foodstuffs via plastics packaging.
- Spectral data for PCBs.
- QC 463 B5 S65 1994 (Thermodynamics Research Center, 1994)
- Mass and infrared spectra for all 209 polychlorinated biphenyls, with literature references. Registry number index, plus table of gas chromatography retention times.
- Spectral data for steroids.
- QC 463 S8 S64 1994 (Thermodynamics Research Center, 1994)
- IR, UV, 1H and 13C NMR, and mass spectra for 211 steroids. Indexes by name, formula, and registry number.
- Spectrometric identification of organic compounds.
- QD 272 S6 S55 1998 (6th ed., Wiley, 1998)
- Introductory chapters on mass, IR, 1H- and 13C-NMR spectroscopy, with problems and references. A popular basic text by Robert Silverstein.
- Spectroscopy source book.
- QD 95 S6368 1988 (McGraw Hill, 1988)
- Handy one-volume abridgement of information from the McGraw-Hill Encyclopedia of Science and Technology (6th ed.). Covers origins, techniques, and other basics.
- Structure determination of organic compounds: tables of spectral data.
- QC 462.85 T313 2009 (4th ed., Springer, 2009)
- Compilation of spectral reference data for IR, UV-VIS, 1H and 13C NMR, and MS, with a guide to interpretation.
General Sources
