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本文提出影响芳杂环衍生物中环质子化学位移的主要因素是取代基的电子效应及取代基位置.并根据取代基团的内部结构和它所在位置的关系,推导出一套经验公式,定量地预测氮苯类、噻吩类、呋喃类、五元氮芳杂环类和氮杂萘类等化合物的15种类型约300个芳杂环衍生物中700多个环质子的化学位移,与实测值相比,偏离在±0.2ppm内的约占88％,在±0.2～±0.3ppm的约占11％,大于±0.3ppm的<1％.
In this paper, the main factors influencing the ring proton chemical shifts in aromatic heterocyclic derivatives are the electronic effect of substituents and the positions of substituents. According to the relationship between the internal structure of substituent group and its position, an empirical formula is deduced quantitatively The chemical shifts of more than 700 ring protons in 15 types of about 150 aromatic heterocyclic derivatives of nitrogen-containing compounds, thiophenes, furans, five-membered nitrogen-containing heterocyclic compounds and azaphthalene compounds were predicted. Compared with the measured values About 88% of deviations within ± 0.2 ppm, about 11% of ± 0.2 to ± 0.3 ppm, and <1% of more than ± 0.3 ppm.