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Abstract:
13C NMR chemical shifts for α, β and carbonyl carbon atoms in a series of β-alkoxy and β-hydroxy α, β-unsaturated ketones have been measured and correlated with electron densities calculated by the INDO method. The influence of the cis/trans, s-cis/s-trans and O-s-cis/O-s-trans isomerism on those chemical shifts has been estimated. The effect of the chelating hydrogenbond formation on the spectra has also been discussed.