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系统地研究了核磁共振碳谱（１３Ｃ ＮＭＲ） 与化学位移规律及其定量构谱关系（ＱＳＳＲ） ．本文研究了一组多元素分子子图指数矢量（ＶＭＳＧ） ，并发现它与烷烃化学位移和（ＣＣＳＡ） 有很好线性相关性．采用多元线性回归（ ＭＶＬＲ） 进行准确估计与预测，结果良好．
The relationship between 13C NMR and chemical shift and its QSSR has been studied systematically. In this paper, a set of multi-element molecular subgraph index vector (VMSG) was studied and found to have a good linear correlation with alkane chemical shift and (CCSA). Multivariate linear regression (MVLR) for accurate estimation and prediction with good results.