A Method for Calculating 17O-NMR Chemical Shifts of Carbonyls of Aldehydes and Formic Acid
一般醛和甲酸羰基17O-NMR化学位移的研究

This paper presents an equation: δcal=615.0+Δα for calculating 17O-NMR chemical shifts of carbonyls of aldehydes and derivatives of formic acid. Twenty-one substituent parameters for the equation were obtained by linear least square regression analysis. The validity of the equation was checked by 32 aldehydes and derivatives of formic acid. A confidence limit of 99.5% was obtained and the calculating errors for all compounds tested were less than 5.0 (relative errors 0.5%).