Title of article :
Application of theoretically computed chemical shifts to structure determination of novel heterocyclic compounds
Author/Authors :
Alsu A. Balandina، نويسنده , , Alsu and Saifina، نويسنده , , Dina and Mamedov، نويسنده , , Vakhid and Latypov، نويسنده , , Shamil، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2006
Abstract :
Combined use of 2D NMR correlation methods (1H–13C and 1H–15N 2D HMBC) and the DFT-GIAO chemical shift calculations allows unequivocal determination of structure for novel quinoxaline. Such interplay of experiment and theory is really reliable and convenient way for structure elucidation of complex heterocycles.
Keywords :
DFT-GIAO chemical shifts , Structure elucidation , Quinoxalines , 2D NMR , 1H , 13C and 15N chemical shifts
Journal title :
Journal of Molecular Structure
Journal title :
Journal of Molecular Structure
