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Analysis of the 1H and 13C{1H} NMR Spectral Parameters of the Tear Gases α-Chloroacetophenone, Dibenz[b,f][1,4]oxazepine, and 2-Chlorobenzylidene Malononitrile

✍ Scribed by Markku Mesilaakso

Publisher: John Wiley and Sons
Year: 1996
Tongue: English
Weight: 475 KB
Volume: 34
Category: Article
ISSN: 0749-1581
DOI: 10.1002/(sici)1097-458x(199612)34:12<989::aid-omr5>3.0.co;2-e

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✦ Synopsis

The 'H and '3C{'H) NMR spectra of the tear gases a-chloroacetophenone, dibenz[b,f] [ 1,4)oxazepine and 2chlorobenzylidene malononitrile were recorded in CDCl, , CD,CI, and (CD,),CO and analysed. Assignments of the resonances were confirmed by homonuclear and heteronuclear correlation spectroscopy. Detailed 'H spectral parameters were determined by iterative analysis. The conformations of dibenz [ S , f ] [ 1,4] oxazepine and 2chlorobenzylidene malononitrile were determined on the basis of the long-range coupling constants 4J(a,0rth0), 'J(a,meta) and 6J(a,para). Use of the 'H spectral parameters of dibenz[b,f][1,4]oxazepine for simulation of a reference spectrum is demonstrated for a test sample.

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