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用红外光谱(IR)解析有机化合物的结构主要是依据大量有关红外光谱的资料、数据以及各种类型化合物的谱图,利用这些资料与谱图,我们就可以确定分子中存在哪些官能团以及这些官能团之间的相互位置关系,最后将结构定出来。但达是一项比较烦杂、费时甚至很难完成的工作。近年来由于电子计算机技术的迅速发展,红外谱图的解析亦已从传统的人工分析发展到用计算机储存检索谱图和辅助解析分子结构。谱图计算机检索系统的主要优点是能够收集大量信息,提高解析的准确性和缩短分析时间,只要根据未知物的光谱图,无需其它数据(如分子式等),就能与计算机中储存的大量已知物光谱
Using infrared spectroscopy (IR) to resolve the structure of organic compounds is mainly based on a large number of infrared spectra of data, data and various types of compounds spectrum, the use of these data and spectra, we can determine which functional groups exist in the molecule and these functional groups The mutual positional relationship between the final structure will be set out. But up is a more complicated, time-consuming and even difficult to complete the job. In recent years due to the rapid development of electronic computer technology, the analysis of infrared spectrum has also been developed from the traditional manual analysis to computerized retrieval of spectra and auxiliary analysis of molecular structure. The main advantage of the computerized retrieval system is that it can collect a large amount of information, improve the accuracy of analysis and shorten the analysis time. As long as the spectrogram of unknown object does not need other data (such as molecular formula) Knowledge spectrum