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3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylimino)-
SpectraBase Compound ID FCTTPGP6tY
InChI InChI=1S/C16H13N3O/c1-12-15(17-13-8-4-2-5-9-13)16(20)19(18-12)14-10-6-3-7-11-14/h2-11H,1H3/b17-15+
InChIKey UCPXEXHZKICDCS-BMRADRMJSA-N
Mol Weight 263.3 g/mol
Molecular Formula C16H13N3O
Exact Mass 263.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FQTfz290F0
Name 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylimino)-
Alternate Name(s) (4E)-5-Methyl-2-phenyl-4-(phenylimino)-2,4-dihydro-3H-pyrazol-3-one 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)-
CAS Registry Number 27807-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O
InChI InChI=1S/C16H13N3O/c1-12-15(17-13-8-4-2-5-9-13)16(20)19(18-12)14-10-6-3-7-11-14/h2-11H,1H3/b17-15+
InChIKey UCPXEXHZKICDCS-BMRADRMJSA-N
Molecular Weight 263.300 g/mol
SMILES CC1=NN(c2ccccc2)C(=O)\C1=N/c1ccccc1
SPLASH splash10-01po-9530000000-3478899056ff9a6c6fa3
Source of Spectrum O-2-1292-1
Wiley ID 1267026