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(4Z)-4-[(2-Chlorophenyl)(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 AEMQ3DUBDxD
InChI InChI=1S/C27H21ClN4O2/c1-17-23(26(33)31(29-17)19-11-5-3-6-12-19)25(21-15-9-10-16-22(21)28)24-18(2)30-32(27(24)34)20-13-7-4-8-14-20/h3-16,33H,1-2H3/b25-24-
InChIKey DCCXVOOUEQQACD-IZHYLOQSSA-N
Mol Weight 468.94 g/mol
Molecular Formula C27H21ClN4O2
Exact Mass 468.135304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B07C83UYJ5E
Name (4Z)-4-[(2-Chlorophenyl)(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
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Formula C27H21ClN4O2
InChI InChI=1S/C27H21ClN4O2/c1-17-23(26(33)31(29-17)19-11-5-3-6-12-19)25(21-15-9-10-16-22(21)28)24-18(2)30-32(27(24)34)20-13-7-4-8-14-20/h3-16,33H,1-2H3/b25-24-
InChIKey DCCXVOOUEQQACD-IZHYLOQSSA-N
Molecular Weight 468.944 g/mol
SMILES Oc1c(\C(=C/2C(N(c3ccccc3)N=C2C)=O)c2c(Cl)cccc2)c(n[n]1-c1ccccc1)C
SPLASH splash10-0159-1000900000-45dbe7c1f6ba0f00f5eb
Source of Spectrum F4-24-829-3b
Synonyms (4Z)-4-[(2-Chlorophenyl)(5-hydroxy-3-methyl-1-phenyl-1Hpyrazol-4-yl)methylene]-5-methyl-2-phenyl-2,4-dihydro-3Hpyrazol-3-one (E)-4-((2-chlorophenyl)(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
Wiley ID 1741681