Carbon‐13 nuclear magnetic resonance spectra of some mesoionic xanthine analogs | Zendy

Mbagwu G. O. | Zendy; Bass R. G. | Zendy; Glen R. A. | Zendy

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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.

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