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Investigation of the configuration of alkyl phenyl ketone phenylhydrazones from ab initio1H NMR chemical shifts†
Mahmoud Trabelsi,Mansour Salem,Benoît Champagne
Organic & Biomolecular Chemistry Pub Date : 10/06/2003 00:00:00 , DOI:10.1039/B307528A
Abstract

Using ab initio GIAO calculations the experimental 1H NMR spectra of the E and Z isomers of alkyl phenyl ketone phenylhydrazones R1–C(Ph)[double bond, length as m-dash]N–NH–Ph (R1 = Me, Et, iPr, and tBu) have been re-interpreted and deviations from Karabatsos' rule or from the assignment of Bellamy and Hunter have been discussed in the light of the optimized geometrical structures.

Graphical abstract: Investigation of the configuration of alkyl phenyl ketone phenylhydrazones from ab initio1H NMR chemical shifts
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