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Finding Chemical & Materials Properties: by Property  

Last Updated: Jun 10, 2014 URL: Print Guide RSS UpdatesEmail Alerts

Spectra Print Page

Spectra Resources

The follow resources are online.  For print materials in the Science Library, scroll down.

  • SciFinder [MIT only]
    Register to use this database.
    - Search chemical literature, including journal articles, conference papers, chemical patents, and theses in chemistry and related fields.
    - Learn more about SciFinder.
  • Reaxys [MIT only]
    Great resource of property information, including spectra for organic and inorganic chemical compounds.
  • NIST Chemistry Webbook
    These spectra from the U.S. National Institute of Standards and Technology can be searched by chemical name, molecular formula, CAS #, and selected physical property data.

    Spectra: IR (16,000), MS (15,000), UV (1,600)
  • Spectral Database for Organic Compounds, SDBS
    About two-thirds of the compounds in this database from the National Institute of Advanced Industrial Science and Technology (Japan) contain 6 - 16 carbon atoms. Lab measurement details are provided. The database can be searched by variety of parameters (compound name, molecular formula, molecular weight, CAS #, nmr peak positions, mass number, etc.

    Spectra: ESR (2,000), 1H NMR (13,900), 13C NMR (12,000), IR (49,000), MS (21,800), Raman (3,500)
  • EPA Reference Absorbance Spectra
    This covers spectra of 189 air pollutants mandated by Title III of the Clean Air Act. Spectra are grouped by chemical name, CAS # and molecular formula. Experimental measurement details such as cell path length, temperature, and concentration (ppm) are provided. Spectra are in spc format and are viewed using a free Windows-compatible viewer called ShowSPC.

    Spectra: FT-IR (189 interferograms)
  • Protein Infrared Database
    These FT-IR spectra are from Dr. Aichun Dong, John F. Carpenter, and Winslow S. Caughey in the Department of Chemistry and Biochemistry at the University of Northern Colorado. Spectra are in spc and spa format, and measurement conditions are specified.

    Spectra: FT-IR
  • Combined Chemical Dictionary [MIT only]
    This resource cites references (look in the references section at the end of each dictionary entry) to spectra in the Aldrich libraries and the journal literature. A free plug-in (downloadable at the site) is needed to draw and upload graphical structure queries.

    Spectra: NMR, IR
  • NMRShiftDB
    NMR spectra can be located using searches by title, structure/substructure and chemical shift data.

    Spectra: NMR
  • Sigma-Aldrich
    Online chemical products catalog provides access to many NMR, IR & Raman spectra. Use the "Click for Search" link, then search by product name, catalog number, CAS number, MDL number, molecular formula. In the results list, click on the product # of interest to access the product information screen, which includes links to any available spectra. Spectra can be saved to a pdf file, printed, or e-mailed.

    Spectra: IR, NMR, Raman
  • Encyclopedia of Spectroscopy and Spectrometry
    Find background information on spectroscopy and spectrometry

Subject Experts

Erja Kajosalo

Librarian for Chemistry & Chemical Engineering

Angie Locknar

Librarian for Materials Science & Engineering,
Mechanical Engineering, & Engineering Systems


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