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Assignment of 13 C NMR spectra of multisubstituted aromatic compounds using a combination of extended DEPT and COLOC illustrated through the total assignment of SR2640
Author(s) -
RastrupAndersen Niels,
Aagaard Grethe
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.1260280213
Subject(s) - chemistry , dept , nmr spectra database , spectral line , proton nmr , nuclear magnetic resonance spectroscopy , carbon 13 nmr , stereochemistry , computational chemistry , physics , astronomy
The combination of Extended DEPT and COLOC was found to be a good alternative to the more time‐ and sample‐consuming INADEQUATE technique for assigning the 13 C NMR spectra of multi‐substituted aromatic compounds. The use of the method is illustrated by spectra of the leukotriene D 4 /E 4 antagonist SR2640 {2‐[3′‐(2″‐quinolylmethoxy)phenyl]aminobenzoic acid} as the potassium salt. Total assignments of the 1 H and 13 C NMR spectra are given.