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本文介绍在CAMOS系统中应用碳-13 NMR谱确认候选结构的方法.将候选结构的模拟谱与未知物实验谱进行比较,可以推测候选结构的可信度.其方法有谱峰个数比较、化学位移比较及波谱相似度计算,已得到满意的结果.程序用FORTRAN 77语言编写,可在小型机或微机上运行.
In this paper, the method of confirming the candidate structure by using carbon-13 NMR in CAMOS system is introduced. The comparison of the simulated spectrum of the candidate structure with the experimental spectrum of the unknowns can be used to infer the reliability of the candidate structure. The method includes the comparison of the number of peaks, Displacement comparison and spectral similarity calculation have yielded satisfactory results.The program is written in FORTRAN 77 and can be run on minicomputers or microcomputers.