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Total Assignment of 1 H and 13 C NMR Chemical Shifts of a Natural Anthocyanidin, Apigeninidin, Using Two‐Dimensional COLOC and HMBC Techniques
Author(s) -
KoudaBonafos Marie,
Nacro Mouhoussine,
Ancian Bernard
Publication year - 1996
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/(sici)1097-458x(199605)34:5<389::aid-omr888>3.0.co;2-9
Subject(s) - chemistry , chemical shift , carbon 13 nmr , nuclear magnetic resonance spectroscopy , pulse sequence , spectral line , computational chemistry , analytical chemistry (journal) , nuclear magnetic resonance , stereochemistry , organic chemistry , physics , astronomy
The 1 H and 13 C NMR spectra of apigeninidin chloride were assigned utilizing the two‐dimensional δ C , δ H correlation and COLOC and HBMC techniques. The full 13 C NMR data are reported for the first time. A good correlation was found between 13 C chemical shifts and carbon charge obtained by AM1 calculation.