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Conformational Equilibrium of Cinchonidine in C6D12 Solution. Alternative NMR/DFT Approach

Authors :
Adam Gryff-Keller
Tomasz Rowicki
Wiktor Koźmiński
Sergey Molchanov
Source :
The Journal of Physical Chemistry A. 122:7832-7841
Publication Year :
2018
Publisher :
American Chemical Society (ACS), 2018.

Abstract

1H NMR and 13C NMR chemical shifts as well as conformation dependent vicinal 1H–1H spin–spin coupling constants for cinchonidine in a dilute C6D12 solution have been measured. These data have been ...

Details

ISSN :
15205215 and 10895639
Volume :
122
Database :
OpenAIRE
Journal :
The Journal of Physical Chemistry A
Accession number :
edsair.doi...........f7340b5fa16171929c20e2265160cad9
Full Text :
https://doi.org/10.1021/acs.jpca.8b06722