Published in
Wiley, Magnetic Resonance in Chemistry, 6(45), p. 513-517, 2007
DOI: 10.1002/mrc.1992
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Pyrazolo[1,5-a]pyrimidines. A combined multinuclear magnetic resonance (1H,13C,15N,19F) and DFT approach to their structural assignment
Journal article published in 2007 by
Dionisia Sanz 
,
Rosa M. Claramunt,
Anil Saini,
Vinod Kumar,
Ranjana Aggarwal,
Shiv P. Singh,
Ibon Alkorta ,
José Elguero
,
Rosa M. Claramunt,
Anil Saini,
Vinod Kumar,
Ranjana Aggarwal,
Shiv P. Singh,
Ibon Alkorta ,
José Elguero
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Abstract
Multinuclear magnetic resonance spectroscopy together with GIAO-DFT calculations allowed establishment of the structure of the products obtained by condensation of 3(5)-amino-4-phenyl-1H-pyrazole and beta-dicarbonyl compounds bearing a trifluoromethyl group. They are 3-phenyl-5-(R)-7-trifluoromethylpyrazolo[1,5-a]pyrimidines.