Abstract

The effects of various molecular factors on the chemical shifts of axial and equatorial protons are calculated for cyclohexane, bicycio [3.2.1] octane, and related ketones. In the ketones, the equatorial α protons usually resonate at higher fields than the axial protons, whereas the reverse is true for the hydrocarbons. Our calculations allow an interpretation of these data which are very often used in conformational analysis.

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