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, Sadtler, Hershenson, etc.

2. Indentify 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). (on
reserve) and Pavia, Introduction to Organic Laboratory Techniques
(on reserve).
c. 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.
d. Indentify correct compound from check of spectra sources.

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Last Modified: July 08, 1999
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