Contribution to Structural Elucidation: Behaviours of Substructures Partially Defined from 2D NMR

查看全文 作　　者：EPOUHE;Celine;[1]范波涛;[2]袁身刚;PANAYE;A.;DOUCET;J.P.

机构地区：[1]ITODYS Université Paris 7 Denis Diderot;[2]Shanghai Institute of Organic Chemistry

出　　处：《Chinese Journal of Chemistry》索引2003年第21卷第10期,共7页

摘　　要：Structural elucidation (automatic determination of the structure of a molecule from its spectra) is frequently hampered by combinatorial explosion when trying to assemble the identified substructures. We devised a new method which can avoid this pitfall by a systematic examination of allowed 13 C chemical shifts ranges for all substructures chemically possible and combined with a progressive pruning thanks to neighbouring relationships appearing from 2D NMR. This method is explained by a detailed example. 关键词：结构分析核磁共振部分结构键能仪器分析分子结构

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Contribution to Structural Elucidation: Behaviours of Substructures Partially Defined from 2D NMR

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