Otis,
What about this?
http://webbook.nist.gov/cgi/cbook.cgi?Mask=80&InChI=1S/C2H5NO2/c3-1-2%284%295/h1,3H2,%28H,4,5%29
That's the escaped INCHI there, or:
[
http://webbook.nist.gov/cgi/cbook.cgi?Mask=80&InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)]
Mask=80 says you want the IR spectrum information.
- Not specified, most likely a prism, grating, or hybrid spectrometer.;
(NO SPECTRUM, ONLY SCANNED IMAGE IS
AVAILABLE)<http://webbook.nist.gov/cgi/cbook.cgi?ID=C56406&Type=IR-SPEC&Index=0#IR-SPEC>
- SOLID (MULL, KBr DISC) $$INACTIVE KBr PLATES AROUND 300-200 CM-1;
PERKIN-ELMER 521 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM
HARD COPY; 2 cm-1
resolution<http://webbook.nist.gov/cgi/cbook.cgi?ID=C56406&Type=IR-SPEC&Index=1#IR-SPEC>
So there's your "index 0 and index 1" business.
I'm not sure how much more than that we could expect from NIST. I don't
think you want to be blindly using those indexes.
Bob
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Chemistry Department
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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