核磁共振波谱查询数据库

A Searchable Data Bank of NMR Spectra

介绍了核磁共振波谱信息查询系统的程序设计和应用方法.系统数据库包含化合物核磁共振氢谱6万多张,核磁共振碳谱4万多张.可通过光谱编号、原子数、分子式进行查询,结果得到所要查询化合物的有关信息及其标准谱图.系统程序还允许用户将本研究领域一些常用化合物的标准谱信息和图谱添加进数据库以供日后查询.

A searchable data bank of NMR spectra is developed. The database includes approximately 64 000 1H NMR spectra and 42 000 13C NMR spectra, along with chemical structures and molecular formula of the relevant compounds. The database can be searched by the serial number and molecular formula of the chemicals. The system program is written in Visual Basic language, and runs under Microsoft Windows system. The spectra database and spectral information are administrated by Microsoft Access. The database enables rapid generation of relevant NMR spectra by inputting spectral information and NMR spectra that are unavailable from commercial sources.