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一种测量有机分子中远程¹H-¹³C耦合常数的简单方法。

A simple method for measuring long-range 1H-13C coupling constants in organic molecules.

作者信息

Vidal Paloma, Esturau Nuria, Parella Teodor, Espinosa Juan F

机构信息

Discovery Chemistry Research & Technologies, Lilly Research Laboratories, Centro de Investigación Lilly, Avenida de la Industria 30, 28108 Alcobendas, Madrid, Spain.

出版信息

J Org Chem. 2007 Apr 27;72(9):3166-70. doi: 10.1021/jo0621120. Epub 2007 Mar 9.

Abstract

This study presents a simple method for measuring long-range heteronuclear coupling constants between protons and proton-bearing carbons. The approach involves recording two conventional 1D-TOCSY experiments in which the offset of the selective proton pulse is set on the low- and high-frequency 13C satellites of an isolated proton signal, Hi. Long-range heteronuclear coupling values between the 13Ci bonded to Hi and the protons Hj,k...n that belong to the same spin system were easily determined from the relative displacement of the relayed Hj,k...n signals in the satellite-selective TOCSY spectra. The sense of the displacement indicated the sign of the coupling constants.

摘要

本研究提出了一种测量质子与含质子碳之间长程异核耦合常数的简单方法。该方法包括记录两个常规的一维全相关谱(1D-TOCSY)实验,其中选择性质子脉冲的偏移设置在孤立质子信号Hi的低频和高频13C卫星峰上。与Hi相连的13Ci和属于同一自旋体系的质子Hj,k...n之间的长程异核耦合值可通过卫星选择性TOCSY谱中中继的Hj,k...n信号的相对位移轻松确定。位移方向表明了耦合常数的符号。

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