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(4Z)-5-Methyl-4-(4-nitrobenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID KziJODuVmMa
InChI InChI=1S/C17H13N3O3/c1-12-16(11-13-7-9-15(10-8-13)20(22)23)17(21)19(18-12)14-5-3-2-4-6-14/h2-11H,1H3/b16-11-
InChIKey PPHQWNUDYSYGAC-WJDWOHSUSA-N
Mol Weight 307.31 g/mol
Molecular Formula C17H13N3O3
Exact Mass 307.095691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9z40OI6hvGz
Name (4Z)-5-Methyl-4-(4-nitrobenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Alternate Name(s) (4Z)-5-methyl-4-(4-nitrobenzylidene)-2-phenyl-2-pyrazolin-3-one (4Z)-5-methyl-4-[(4-nitrophenyl)methylene]-2-phenyl-pyrazol-3-one (4Z)-5-methyl-4-[(4-nitrophenyl)methylidene]-2-phenyl-3-pyrazolone (4Z)-5-methyl-4-[(4-nitrophenyl)methylidene]-2-phenyl-pyrazol-3-one 3-Methyl-4-(4-nitrobenzylidene)-1-phenyl-2-pyrazolin-5-one 5-Methyl-4-(4-nitrobenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CAS Registry Number 68901-70-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N3O3
InChI InChI=1S/C17H13N3O3/c1-12-16(11-13-7-9-15(10-8-13)20(22)23)17(21)19(18-12)14-5-3-2-4-6-14/h2-11H,1H3/b16-11-
InChIKey PPHQWNUDYSYGAC-WJDWOHSUSA-N
Molecular Weight 307.309 g/mol
SMILES C1(N(N=C(\C1=C/c1ccc(cc1)N(=O)=O)C)c1ccccc1)=O
SPLASH splash10-004r-9601000000-6845ebbd95de8c2af6c0
Source of Spectrum AD-0-2532-0
Wiley ID 1422028