Application of quantum chemical calculations of 13C NMR chemical shifts to quinoxaline structure determination

被引：29
作者：
Balandina, A
Mamedov, V
Xavier, F
Bruno, F
Latypov, S
机构：
[1] NMR Lab, Inst Organ & Phys Chem, Kazan 420008, Russia
[2] Univ Paris Sud, Fac Pharm, CNRS, Lab Pharmacognosie Assoc, F-92296 Chatenay Malabry, France
来源：
TETRAHEDRON LETTERS | 2004年 / 45卷 / 21期
关键词：
D O I：
10.1016/j.tetlet.2004.03.182
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
Comparison of experimental and theoretical (GiAO DFT) C-13 NMR chemical shifts allows the reliable assignment of isomeric structures of heteroaromatic compounds. This methodology was applied to establish the structures of isomeric quinoxalines. A modern ID NOE technique permitted independent proof of the proposed Structures. (C) 2004 Elsevier Ltd. All rights reserved.
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收藏
页码：4003 / 4007
页数：5
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