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Chemistry: Major Spectra Sources

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Atomic Spectra Sources

Infrared Spectra Sources

Nuclear Magnetic Resonance Spectra Sources

Mass Spectrometry Sources

Ultraviolet Spectra Sources

Electronic Spectra Sources

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What Steps to Follow to Identify Compounds from Spectra

1. Locate a spectrum of a known compound.
Use the sources listed in the "Major Sources for Spectra", e.g., Aldrich, etc.

SciFinder Web (login) UCI access only [UCI Access only]
SciFinder Scholar is now available on the Web for current students, faculty, and staff at all UC campuses. One time registration is required for new users, then login and search. Web version includes alerts referred to as "Keep Me Posted".

2. Identify a compound from its spectrum.

a. Make preliminary assignments of the compound's structure based on information learned in class.
NMR: look for presence/absence of aromatic ring (8 6.7-9);< methyl (usually near 8 1); alkene H (usually 8 5-7), etc.

IR: certain peaks are characteristic of specific structure, e.g., frequency of carbonyl stretch, presence/absence if OH or NH, of triple bonds, etc.
b. Extend and confirm your preliminary assignments and assign other diagnostic peaks by consulting your lab text and Silverstein/Bassler Morrill, Spectrometric Identification of Organic Compounds). (check ANTPAC catalog).

c. Properties of Organic Compounds UCI access only [UCI Access only]
Search by speactra peak intensities for NMR, IF, FT-IR, MS, UV.

d. Decide on list of possible structures (may be partial structures or model structures): Look in sources listed in the "Major Sources for Spectra" guide for the spectra of possible compounds/structures.

e. Identify correct compound from check of spectra sources.

Help

To get help with any of these databases, or if you have problems logging in contact:

  • Mitchell Brown
  • 230 Francisco J. Ayala Science Library
  • Office: 949-824-9732
  • mcbrown@uci.edu

 

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