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- W1662397188 abstract "13 C NMR spectra of the cyclic ureas 1–9 and thioureas 10–18 have been recorded in CDCl 3 as solvent. N -Methylation has been found to cause shifts of the δ- 13 C values of the carbonyl or thiocarbonyl group which are proportional to the number of methyl groups. No general linear correlation exists between δ- 13 CO and δ- 13 CS values. Several linear regressions are examined in order to investigate the relation between calculated charge densities q , bond orders Q , and the chemical shifts δ of the carbonyl or thiocarbonyl carbon atom. The best fit with the experimental values is obtained for the relation δ- 13 C A = a + bq A + c Σ Q AB + dq π A ." @default.
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- W1662397188 date "1990-05-01" @default.
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- W1662397188 title "Electronic structure and conformational properties of the amide linkage" @default.
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- W1662397188 doi "https://doi.org/10.1016/0022-2860(90)85038-k" @default.
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