%0 Journal Article
%T A Method for Calculating 17O-NMR Chemical Shifts of Carbonyls of Aldehydes and Formic Acid<br>一般醛和甲酸羰基17O-NMR化学位移的研究
%A LI Li-dong
%A LI Lin-sheng
%A <br>李利东
%A 李临生
%J 波谱学杂志
%D 2005
%I 
%X 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%).
%K 17)O-NMR
%K chemical shift
%K substituent effect
%K least square regression analysis
%K aldehyde
%K formic acid
%K carbonyl<br>NMR化学位移
%K 羰基
%K 甲酸
%K 醛
%K 线性回归法
%K 计算结果
%K 回归检验
%K 置信度
%K 取代基
%K 实验值
%K 计算值
%K 公式
%K 偏差
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=1A3C8C6E452BD1AF5A6B6B99BA3989C9&aid=0B01C43BC6BA26FE&yid=2DD7160C83D0ACED&vid=BC12EA701C895178&iid=0B39A22176CE99FB&sid=7EBE588F611589FC&eid=50BBDFAC8381694B&journal_id=1000-4556&journal_name=波谱学杂志&referenced_num=0&reference_num=15