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Spectral Data for Chemical Analysis   Tags: chem, ir, mass_spec, mass_spectra, nmr, raman, spectra, spectral, uv  

This guide is intended to help those doing chemical analysis.
Last Updated: Nov 24, 2014 URL: Print Guide RSS Updates

Getting Started Print Page


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Best Places to Start - Online

  • NIST Atomic Spectra Database.
    This database provides access and search capability for NIST critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-to-date.
  • CS Chemfinder
    You must register for free access to this site from Cambridge Software which allows you to search by formula, name, molecular weight, or structure for information on more than 75,000 compounds.
  • SDBS
    Integrated spectral data base system for organic compounds sponsored by the National Institute of Materials and Chemical Research in Japan (NMR and MS). Searchable by compound name, molecular formula, molecular weight, CAS Registry Number, number of atoms, and ppm.
    This site from the National Center for Manufacturing Services provides property data on solvents.
  • NIST Chemistry WebBook
    The NIST Chemistry WebBook contains thermochemical and thermophysical data, several types of spectral data, and solubility data. Information is continually being added. Searches can be done by the specific chemical or by the type of data desired.
  • Periodic Table of the Elements
    Make use of the basic periodical table or click on individual elements for extensive information including properties, appearance, occurrence, history, and uses.

Best Places to Start in Print

Spectral Atlas of Polycyclic Aromatic Compounds, W. Karcher,, eds., 1985.
Location: STACKS QD 341 .H9 S6354 1985
Handbook of basic tables for chemical analysis, 2nd ed. , Thomas J. Bruno, Paris D.N. Svoronos, 2004.
Location: REF QD 78 .B78 2004
Includes sections on UV spectrophotometry, infrared spectrophotometry, NMR spectroscopy, mass spectroscopy, and atomic absorption and emission spectrometry.
Atlas of Spectral Data and Physical Constants for Organic Compounds, 2nd ed., Jeanette G. Grasselli and William M. Ritchley, ed., 1975.
Location: STACKS QD 257.7 .G7 1975
A six volume set which gives data on 21,000 common organic compounds. Indexed by compound name, molecular formula, molecular weight, mass spectral data, and characteristic physical constants.
The Handbook of Infrared and Raman Spectra of Inorganic Compounds and Organic Salts, Richard A. Nyquist, Curtis L. Putzig, and M. Anne Leugers, 1997.
Location: REF QC457 .N927 1997
A four volume set.
Handbook of Spectroscopy, James W. Robinson, 1974.
Location: STACKS QD 95 .H27
A three volume set giving data on important compounds from all major fields of spectroscopy.
Tables of Spectral Data for Structure Determination of Organic Compounds, 2nd ed., Pretsch et al., 1989.
Location: STACKS QC 462.85 .T313 1989
Includes sections on 13C-NMR Spectroscopy, Proton Resonance Spectroscopy, Mass Spectrometry, and UV/Visible Spectroscopy.



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David Hills
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