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High resolution 1H NMR studies of cyclic N-nitrosamines

✍ Scribed by M. J. Milewska; T. Poloński

Publisher
John Wiley and Sons
Year
1994
Tongue
English
Weight
385 KB
Volume
32
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

Molecular modeling by molecular mechanics (MM2) calculations were used to predict conformational preferences of cyclic N‐nitrosamines. The results were compared with ^1^H NMR data. The observed geminal coupling constants ^2^J were considerably stronger for syn than for anti α‐methylene protons and thus appear to be very useful for configurational predictions. The long‐range ^4^J couplings across the nitrogen atom were observed directly from the 1D spectra.

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