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Molecular modelling and NMR studies of the caffeine dimer

✍ Scribed by Falk, Michael; Chew, Warren; Walter, John A; Kwiatkowski, Witold; Barclay, Katherine D; Klassen, Gerald A


Book ID
120043869
Publisher
NRC Research Press
Year
1998
Tongue
French
Weight
279 KB
Volume
76
Category
Article
ISSN
0008-4042

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## Abstract NMR and molecular modelling were used to determine the stereochemistry of two pairs of pharmaceutical compounds. In both cases, an unexpected conformation complicated the analysis of one isomer, but the insight provided by molecular modelling allowed the NMR data to be interpreted and t