化学软件资源-- 图谱解析解析有机化合物的红外光谱、核磁及质谱有时是一件非常困难的工作，特别是复杂化合物的图谱解析更是这样。核磁图谱的解析可以先利用ChemNMR, C13 Module for ChemWindow, gNMR等软件对目标化合物的化学位移进行估算或作出模拟谱，用以协助对该化合物图谱的指认。1.Spectra Heap (光谱分析数据库软件)Spectra Heap's main function includes:·About 100 000 spectral lines arranged by element and by wavelength·Emission lines of 98 chemical elements from Hydrogen to Einsteinium·Selected lines, mos 

核磁共振（NMR)在线词典（英文）NMR术语概念是按英文字母顺序排列，很好检索。比如要查Chemical shift，点击后出现详细解释：Chemical shiftChemical shift, d, is the term given to the positions of the resonances in an NMR spectrum. It is cited in parts-per-million, or ppm, offrequency. The position of a resonance, in absolute frequency terms,varies with the exact field strength of the magnet used. Thus, peakpositions would be instrument-dependent if they were expressed in Hz.To avoid this potentially confusing s