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1,2-DIPHENYL-5-METHYL-PYRAZOL-4-IN-3-ON

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1,2-DIPHENYL-5-METHYL-PYRAZOL-4-IN-3-ON
SpectraBase Compound ID c4DU2wBq0i
InChI InChI=1S/C16H14N2O/c1-13-12-16(19)18(15-10-6-3-7-11-15)17(13)14-8-4-2-5-9-14/h2-12H,1H3
InChIKey CUKIVZPMDBQMFQ-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C16H14N2O
Exact Mass 250.110613 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wtGUBBwOo0
Name 1,2-Diphenyl-5-methyl-pyrazol-4-in-3-one
CAS Registry Number 52128-85-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H14N2O
InChI InChI=1S/C16H14N2O/c1-13-12-16(19)18(15-10-6-3-7-11-15)17(13)14-8-4-2-5-9-14/h2-12H,1H3
InChIKey CUKIVZPMDBQMFQ-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference M. Begtrup, Acta Chem. Scand. B28, 61 (1974).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3