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Carbon‐13 nuclear magnetic resonance spectra of some mesoionic xanthine analogs
Author(s) -
Mbagwu G. O.,
Bass R. G.,
Glen R. A.
Publication year - 1983
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/omr.1270210902
Subject(s) - mesoionic , pyrimidine , chemical shift , cndo/2 , chemistry , carbon 13 nmr , spectral line , computational chemistry , stereochemistry , organic chemistry , molecule , physics , astronomy
Natural abundance 13 C NMR chemical shifts have been experimentally determined for a series of mesoionic thiazolo[3,2‐ a ]pyrimidine‐5,7‐diones. The spectral data are compared with those of related mesoionic dihydrothiazolo[3,2‐ a ]pyrimidine‐5,7‐diones and mesoionic 1,3,4‐thiadiazolo[3,2‐ a ]pyrimidine‐5,7‐diones. Resonable correlation between the observed 13 C NMR chemical shifts and CNDO/2 total charge densities have been obtained for the different carbon atoms of 8‐methylthiazolo[3,2‐ a ]pyrimidine‐5,7‐dione.