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   Assignment of stereochemistry and structure using NMR and CP3

How to use this applet

Assigning the Stereochemistry of Pairs of Diastereoisomers Using GIAO NMR Shift Calculation
S. G. Smith and J. M. Goodman J. Org. Chem. 2009, 74, 4597-4607.
DOI: 10.1021/jo900408d

Other resources:
PyDP4v0.4.zip

CHESHIRE, the Chemical Shift Repository for Computed NMR Scaling Factors (Tantillo Group)




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department of chemistry University of Cambridge