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采用子结构检索、公共子结构寻找和相似指数计算的方法研究了红外特征峰与对应子结构的相互关系。说明对大量谱图信息进行统计分析确定基团的特征峰 ,是一种行之有效的方法。
The relationship between infrared characteristic peaks and corresponding substructures was studied by means of substructure search, common substructure search and similarity index calculation. This shows that it is an effective method to conduct statistical analysis of a large number of spectral information to determine the characteristic peak of a group.