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RESEARCH PRODUCT

Carbon-13 chemical shifts of bicyclic compounds

A. F. PlateTõnis PehkJaakko PaasivirtaE. LippmaaN. A. Belikova

subject

Absorption spectroscopyBicyclic moleculeHydrogenChemistryChemical shiftCarbon-13chemistry.chemical_elementGeneral ChemistryCarbon-13 NMRMagnetic anisotropyComputational chemistryOrganic chemistryMoleculeGeneral Materials Science

description

13C NMR absorption spectra of 50 bicyclic hydrocarbons, alcohols and ketones have been measured, in addition to some terpenes. The 13C chemical shifts are approximately additive for similar compounds and can be used for the determination of molecular structure; they differ for endo- and exo-isomers, just as in proton spectra. These quite regular and predictable 13C shift differences are much larger and are caused by the 1,4-nonbonded interaction between atoms heavier than hydrogen, not by magnetic anisotropy effects.

https://doi.org/10.1002/mrc.1270020609