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1,6-Dimethyl-5-(3-trifluoromethyl-phenyl)-1H-pyrazolo(3,4-D)pyrimidine-4(5H)-one

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1,6-Dimethyl-5-(3-trifluoromethyl-phenyl)-1H-pyrazolo(3,4-D)pyrimidine-4(5H)-one
SpectraBase Compound ID BZxvnppuNDv
InChI InChI=1S/C14H11F3N4O/c1-8-19-12-11(7-18-20(12)2)13(22)21(8)10-5-3-4-9(6-10)14(15,16)17/h3-7H,1-2H3
InChIKey IMBFRKZRMUFTQW-UHFFFAOYSA-N
Mol Weight 308.26 g/mol
Molecular Formula C14H11F3N4O
Exact Mass 308.088495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3mpHrOJul34
Name 1,6-Dimethyl-5-(3-trifluoromethyl-phenyl)-1H-pyrazolo(3,4-D)pyrimidine-4(5H)-one
CAS Registry Number 92914-81-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H11F3N4O
InChI InChI=1S/C14H11F3N4O/c1-8-19-12-11(7-18-20(12)2)13(22)21(8)10-5-3-4-9(6-10)14(15,16)17/h3-7H,1-2H3
InChIKey IMBFRKZRMUFTQW-UHFFFAOYSA-N
Literature Reference S.V. Nielsen, E.B. Pedersen, Chemica Scripta 23, 240 (1948).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3