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(4E)-4-[(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID LkafZJfBitJ
InChI InChI=1S/C21H18N4O2/c1-14-18(20(26)24(22-14)16-9-5-3-6-10-16)13-19-15(2)23-25(21(19)27)17-11-7-4-8-12-17/h3-13,26H,1-2H3/b19-13+
InChIKey PHCPNSHHXUOXSD-CPNJWEJPSA-N
Mol Weight 358.4 g/mol
Molecular Formula C21H18N4O2
Exact Mass 358.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1qKEyZ6rW7N
Name (4E)-4-[(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Alternate Name(s) 1-Phenyl-3-methyl-5-hydroxy-4-(1-phenyl-3-methyl-4,5-dihydro-5-oxo-pyrazol-2-ylidene)-pyrazole 3H-Pyrazol-3-one, 2,4-dihydro-4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-methyl-2-phenyl- 4,4'-Methine-bis(3-methyl-1-phenyl-2-pyrazolin-5-one) 4-[(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
CAS Registry Number 4174-09-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N4O2
InChI InChI=1S/C21H18N4O2/c1-14-18(20(26)24(22-14)16-9-5-3-6-10-16)13-19-15(2)23-25(21(19)27)17-11-7-4-8-12-17/h3-13,26H,1-2H3/b19-13+
InChIKey PHCPNSHHXUOXSD-CPNJWEJPSA-N
Molecular Weight 358.401 g/mol
SMILES Oc1[n](-c2ccccc2)nc(c1\C=C\1C(N(c2ccccc2)N=C1C)=O)C
SPLASH splash10-056r-9003000000-40b79f8af5333016dd85
Source of Spectrum IC-1022-0-0
Wiley ID 1347142