A combined first principles computational and solid-state NMR study of a molecular crystal: flurbiprofen.

A combined first principles computational and solid-state NMR study of a molecular crystal: flurbiprofen.

The 1H, 13C and 19F magic-angle spinning NMR spectra have been recorded for Form 1 of flurbiprofen. In the case of 19F, spinning sideband analysis has produced data for the components of the shielding tensor. The chemical shift of the hydrogen-bonded proton was found to be 14.0 ppm. Shielding parame...

Bibliografske podrobnosti
Main Authors:	Yates, JR, Dobbins, SE, Pickard, C, Mauri, F, Ghi, P, Harris, R
Format:	Conference item
Izdano:	2005

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