1995•Magnetic Resonance in ChemistryRequires access

Carbon‐13 NMR investigations of three fluorinated steroids

Steven A. Carss, Robin K. Harris, Richard A. Fletton

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Abstract

Abstract High‐resolution carbon‐13 NMR spectra were obtained for three solid fluorinated steroids. Assignments were carried out using several approaches, including two‐dimensional spectra of the compounds in solution. Solid‐state and solution‐state chemical shifts are compared. Signals from one of the fluorine‐containing carbons in each compound show the effect of interplay between shielding, dipolar and indirect scalar (J) coupling tensors. One sample is found to be a mixture of two polymorphic forms.

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What this paper is about

Abstract High‐resolution carbon‐13 NMR spectra were obtained for three solid fluorinated steroids. Assignments were carried out using several approaches, including two‐dimensional spectra of the compounds in solution. Solid‐state and solution‐state chemical shifts are compared. Signals from one of the fluorine‐containing carbons in each compound show the effect of interplay between shielding, dipolar and indirect scalar (J) coupling tensors. One sample is found to be a mixture of two polymorphic forms.

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Available abstract

Abstract High‐resolution carbon‐13 NMR spectra were obtained for three solid fluorinated steroids. Assignments were carried out using several approaches, including two‐dimensional spectra of the compounds in solution. Solid‐state and solution‐state chemical shifts are compared. Signals from one of the fluorine‐containing carbons in each compound show the effect of interplay between shielding, dipolar and indirect scalar (J) coupling tensors. One sample is found to be a mixture of two polymorphic forms.

Key concepts: Chemistry, Solid-state nuclear magnetic resonance, Spectral line, Chemical shift, NMR spectra database, Solid-state, Fluorine-19 NMR, Magnetic dipole–dipole interaction

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