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Carbon-13 NMR spectroscopy of heterocyclic compounds—III : A 20 MHz study of chemical shifts and carbon-proton coupling constants for the methyl coumarins
Authors:NJ Cussans  TN Huckerby
Institution:Department of Chemistry, The University, Bailrigg, Lancaster LA1 4YA, England
Abstract:Complete assignments of chemical shifts and extensive assignments of carbon-proton coupling constants are presented for the 3-, 4-, 6-, 7- and 8-methylcoumarins, together with similar parameters for 5,8- and 6,8-dimethylcoumarin. Shifts in 6,8-dimethylcoumarin can be predicted with high precision from the substituent effects observed in the 6- and 8-methyl derivatives, and shifts are predicted for the 5-methyl derivative, which was not studied.
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