Calculation of()~(15)N NMR Chemical Shifts of Amino Groups in Aliphatic Anilines

This paper provides an equation: δ_(cal)(()~(15)N)=-380.2+ΣΔα+ΣΔβ+ΣΔγ+ΣΔδ+ΣC for calculation of()~(15)N chemical shifts of substituted aliphatic amines.Eleven substituent parameters were obtained by linear least square regression analysis.The calculated results were checked regressively by 133()~(15)N NMR chemical shifts of 133 substituted aliphatic amines.The confidence limit was 99.5 % and the calculating errors for about 94.7 % of the compounds were less than δ 5(with relative errors of 0.5 %).