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Spectra
Table of Contents:

General Spectra
This section includes books and databases which include multiple types of spectra.

  • Reaxys
    http://www.lib.umn.edu/get/12017
    CrossFire includes Beilstein (physical property and reaction data for more than 9 million organic compounds) and Gmelin (similar types of information for over 1 million inorganic and organometallic compounds); you must download special software (available to U of M affiliates at the above URL) to access the database from outside the Science and Engineering Library.
  • NIST Chemistry WebBook
    http://webbook.nist.gov/chemistry/
    Provides access to chemical and physical property data (including IR, mass, and UV/vis spectra) for chemical species. Searchable by chemical formula, partial formula, chemical name, CAS registry number, molecular weight, ionization energy, and proton affinity. Published by the National Institute of Standards and Technology (NIST).
  • Raman/Infrared Atlas of Organic Compounds
    Gives Raman and IR spectra plotted on the same wavenumber scale for 1044 representative organic compounds. Includes introductory text and indexes to substance classes and names, molecular formulas, and CAS Registry Numbers. Try this before Sadtler.
    • Location(s): WALTER Sci/Eng Ref QD272 .S6 S3713 1989
  • SciFinder
    http://www.lib.umn.edu/get/3790
    SciFinder is the best database for chemistry-related topics. Registration is required, and you must download VPN and then log in to it for off-campus access.
    SciFinder includes journal and patent references,chemical regulatory data, and supplier, reaction, and substance information. SciFinder Mobile is best for quick searches. It has no IP access restrictions but limited functionality, and it requires a SciFinder account.
  • SDBS: Integrated Spectral Data Base System for Organic Compounds
    http://riodb01.ibase.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang=eng
    Online database of over 30,000 organic compounds. Gives 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 spectra, although not for all compounds.
  • Spectral Atlas of Polycyclic Aromatic Compounds
    Ultraviolet, emission, mass, nmr, infrared spectral curves, occurrence and biological activity of 43 organic pollutants.
    • Location(s): WALTER Sci/Eng Ref QD341 .H9 S6354 1985
  • Spectroscopic Tools
    http://www.chem.uni-potsdam.de/tools/index.html
    Includes tables of chemical shifts for a variety of nuclei, tools for NMR and IR spectral interpretation and more.
Infrared (IR) Spectra
  • Merck FT-IR Atlas
    Over 3,000 Fourier transform-IR spectra of pure substances, arranged by molecular formula. Has formula, name and registry number indexes.
    • Location(s): WALTER Sci/Eng Ref QC457 .M473 1988
  • Sadtler High Resolution Spectra of Inorganics and Related Compounds
    Has 1300 spectra for "inorganics and related compounds".
    • Location(s): WALTER Sci/Eng Ref QC457 .S28
  • Sadtler Infrared Spectra
    A set of 29,000 prism spectra. Indexed by the Sadtler comprehensive indexes (which cover all the large Sadtler sets) by: name, molecular formula & weight, chemical class. Also has a SpecFinder Index to micron bands in sequence for unknown identification.
    • Location(s): WALTER Sci/Eng Ref QD96 .I5 S24x
  • Standard Infrared Grating Spectra (Sadtler)
    123 volumes with 91,000 grating spectra. Indexed by the Sadtler comprehensive indexes (which cover all the large Sadtler sets) by: name, molecular formula & weight, chemical class. Also has a SpecFinder Index to micron bands in sequence for unknown identification.
    • Location(s): WALTER Sci/Eng Ref QD96 .I5 S73x
Mass Spectra
  • Important Peak Index of the Registry of Mass Spectral Data
    A 3-volume supplement to the Wiley/NBS Registry of Mass Spectral Data, arranged by the most important peaks.
    • Location(s): WALTER Sci/Eng Ref QC454 .M3 M38 1991
  • Wiley/NBS Registry of Mass Spectral Data
    A 7-volume set of mass spectra for over 112,275 compounds, with structures for 89,903; arrangement is by molecular weight, with CAS RN, formula, and chemical name indexes in volume 7. A peak index was published separately.
    • Location(s): WALTER Sci/Eng Ref QC454 .M3 M395 1989
Nuclear Magnetic Resonance (NMR) Spectra
  • Nuclear Magnetic Resonance Spectra (Sadtler)
    A set of 64,000 proton NMR spectra, not arranged by chemical class. Indexed by the Sadtler comprehensive indexes (which cover all the large Sadtler sets) by: name, molecular formula & weight, chemical class. Try Aldrich first.
    • Location(s): WALTER Sci/Eng Ref QC762 .S685x
Raman Spectra
  • Standard Raman Spectra (Sadtler)
    A set of 4400 Raman spectra, indexed by name, chemical class, molecular formula. There is also a Spec-finder for identification of unknowns.
    • Location(s): WALTER Sci/Eng Ref QC454 .R36 S28x
Ultraviolet/Visible Spectra
  • Sadtler Ultra Violet Spectra
    A set of over 48,000 UV spectra, indexed by the Sadtler comprehensive indexes (which cover all the large Sadtler sets) by: name, molecular formula & weight, chemical class. Includes UV Spectra Locator to millimicron bands in sequence for unknown identification. Try one of the smaller sets first.
    • Location(s): WALTER Sci/Eng Ref QD96 .U4 S24x
  • UV-VIS Atlas of Organic Compounds
    A 2-volume set of 1,175 evaluated UV-VIS spectra of organic compounds. Includes solvents, indexes (unsaturation values, substance names and classes, formulas, etc.) and supplementary texts on individual substance classes by experts.
    • Location(s): WALTER Sci/Eng Ref QC462.85 .P47 1992
Spectra of Polymers
  • Raman Spectra of Polymers
    Over 250 conventional and FT Raman spectra of polymers; not comprehensive. Includes sections on vibrational spectroscopy, Raman instrumentation, molecular vibrations in polymers, and the application of FT Raman methods to polymers.
    • Location(s): WALTER Sci/Eng Ref QC462 .P5 H45 1993


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