Computer assisted analysis of carbon-13 NMR spectral data
Progress in Nuclear Magnetic Resonance SpectroscopyPublished 1 January 1982
N. A. B. Gray
Citations29
SJR quartileQ1
SJR score1.97
SNIP2.31
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Abstract
The prediction of the 13C NMR spectra for derivatives of benzene has been investigated using mathematical modeling techniques. A large data set (n = 7440) was investigated and a number of models developed. The most practical model contained 52 terms and had a correlation coefficient of observed against predicted line positions of 0.99 with an average error of prediction of 1.6 ppm.
Keywords
Chemistry
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