1. 13C-NMR spectra of 3-methylsydnone and 3-methylsydnoneimine hydrochloride
- Author
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V. G. Yashunskii, L. K. Vasyanina, E. V. Borisov, and N. V. Gorskaya
- Subjects
CNDO/2 ,chemistry.chemical_compound ,chemistry ,Computational chemistry ,Hydrochloride ,Organic Chemistry ,Physical chemistry ,chemistry.chemical_element ,Conjugated system ,Carbon-13 NMR ,Ring (chemistry) ,Carbon ,Spectral line - Abstract
The δ (C13) values of the ring carbon atoms for the C13-NMR spectra of 3-methylsydnone and 3-methylsydnoneimine, described for the first time, are compared with the values calculated by the Karplus-Pople method. The interrelationship between the δ(C13) values of conjugated carbocycles, heterocycles, alkenes, and a number of carbonyl-containing compounds and the effective charges of the corresponding carbon atoms calculated by the complete neglect of differential overlap (CNDO/2) method is analyzed thoroughly.
- Published
- 1975
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