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Carbon‐13 chemical shift assignment of ( E )‐stilbenyloxyalkylthiouracils
Author(s) -
Wybieralska Jadwiga,
Wyrzykiewicz Elżbieta
Publication year - 1990
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260280317
Subject(s) - chemistry , chemical shift , carbon 13 nmr , spectral line , computational chemistry , stereochemistry , quantum mechanics , physics
The 13 C NMR spectra of twelve isomeric 2‐and 4‐(E)‐stilbenyloxyalkylthiouracils have been calculated and fully assigned. The A i and A i K empirical parameters of 4‐ketopyrimidyl‐2‐thioalkoxy, 2‐ketopyrimidyl‐4‐thioalkoxy, 2‐( E ) ‐stilbenyloxyalkyl, 2‐( E )‐stilbenyloxyalkylthio, 4‐( E )‐stilbenyloxyalkyl and 4‐( E )‐stilbenyloxyalkylthio groups were calculated for the predictions of the chemical shifts of substituted uracils and benzenes.