使用核磁共振光譜決定化學結構的另一選擇──碳序法之化學結構決定

Another Choice for Structure Elucidation by Using NMR Spectra: Structure Generation by ID Number Method

陳勝智(Sheng-Chih Chen)

《化學》 60卷2期 (2002/06) Pp. 153-162

https://doi.org/10.6623/chem.2002016

摘要

本文介紹利用核磁共振光譜，如何進行碳碳連結產生化學結構的方法。本法將碳譜與氫譜之各訊號分別由低磁場到高磁場，一一標識序號。根據HMQC，由氫之序號找到碳之序號，將COSY的氫氫偶合相關改為碳碳連結，也將HMBC的碳氫遠程偶合相關更改為碳碳遠程連結，最後利用此等連結進行碳碳連結產生化學結構。化學結構建構完成時，核磁共振光譜訊號之歸屬也一起完成。

關鍵字

化學結構決定 ； 碳序法 ； 核磁共振光譜

並列摘要

The present paper describes a procedure for structure generation by using NMR spectra. In the procedure, ill numbers are separately given, from high field to low field, for the signals in the carbon-13 and proton NNIR spectra. The two series of ill numbers are correlated by HMQC and used to change the ^1H-^1H correlations in COSY and ^1H-^(13)C correlations in HMBC into ^(13)C _^(13)C connectivities. The procedure for the generation of a structure is started with a ^(13)C _^(13)C connected fragment generated from a cross peak of COSY. Then, the structure is generated by successive connections of the connectivities and the signals of proton and carbon-13 are concomitantly assigned via ID number.

並列關鍵字

structure generation ； ID number method ； NMR spectra