8 有機化合物の自動構造解析 : 脂肪族および芳香族各種化合物の構造解析

概要

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An actual attempt to feed physical data, acquired via computers from MS, NMR, IR and UV, into a central computer which is programmed to structure elucidation based on a combination of all four types of data is being carried out. In this paper, the roll of each computer connected to the spectrometer (Figs. 1, 2, 3 and 4) and the program resident on each of them are explained in detail (Table 1, Figs. 5 and 6). For instance, the computer connected to the NMR spectrometer records all signals and determines chemical shifts and coupling constants by the order of the program specially made by authors (figs. 2 and 3). The data computed by the method gave the appropriate molecular formulae and partial structures for several kinds of aliphatic and aromatic compounds (Figs. 7, 8, 9 and 10).
天然有機化合物討論会の論文
1968-09-20