有机化学 ›› 1993, Vol. 13 ›› Issue (2): 129-135. 上一篇    下一篇

研究论文

一个用于含C, H, O的有机化合物结构解析专家系统

胡昌玉;许禄   

  1. 中国科学院长春应用化学研究所
  • 发布日期:1993-04-25

An expert system for the elucidation of the structures of organic compounds containing C, H, O elements

HU CHANGYU;XU LU   

  • Published:1993-04-25

本文以1,3,3-三甲基-2-氧二环[2,2,2]辛烷为例, 介绍了结构解析专家系统ESESOC.I. 综合利用IR、13^C NMR进行结构解析的过程, 特别是对结构解析专家系统的核心部分, 即整体结构对接作了详细地描述。

关键词: 红外分光光度法, 二环辛烷 P, 计算机应用, 核磁共振谱法, 人工智能, 结构分析, 专家系统

Taking 1,3,3-Trimethyl-2-oxabicyclo[2,2,2]octane as an example, the principle and process to interpret the structure of orgainc compounds with ESESOC.I (Expert System for the Elucidation of the Structures of Organic Compounds. I.) are describled in this paper.

Key words: COMPUTER APPLICATIONS, INFRARED SPECTROPHOTOMETRY, BICYCLOOCTANE P, NMR SPECTROMETRY, ARTIFICIAL INTELLIGENCE, STRUCTURAL ANALYSIS, EXPERT SYSTEM

中图分类号: