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1,6-Dimethyl-5-(4-bromo-phenyl)-1H-pyrazolo(3,4-D)pyrimidin-4(5H)-one

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1,6-Dimethyl-5-(4-bromo-phenyl)-1H-pyrazolo(3,4-D)pyrimidin-4(5H)-one
SpectraBase Compound ID DM5aXmBWG8d
InChI InChI=1S/C13H11BrN4O/c1-8-16-12-11(7-15-17(12)2)13(19)18(8)10-5-3-9(14)4-6-10/h3-7H,1-2H3
InChIKey OLGOCFJFAUIFLT-UHFFFAOYSA-N
Mol Weight 319.16 g/mol
Molecular Formula C13H11BrN4O
Exact Mass 318.011624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6266fSvmq0
Name 1,6-Dimethyl-5-(4-bromo-phenyl)-1H-pyrazolo(3,4-D)pyrimidin-4(5H)-one
CAS Registry Number 92914-82-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H11BrN4O
InChI InChI=1S/C13H11BrN4O/c1-8-16-12-11(7-15-17(12)2)13(19)18(8)10-5-3-9(14)4-6-10/h3-7H,1-2H3
InChIKey OLGOCFJFAUIFLT-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