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4-(3,5-Dinitrobenzoyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID JPTcxNU5wH2
InChI InChI=1S/C17H12N4O6/c1-10-15(17(23)19(18-10)12-5-3-2-4-6-12)16(22)11-7-13(20(24)25)9-14(8-11)21(26)27/h2-9,15H,1H3
InChIKey IMURLUBIDTVTPB-UHFFFAOYSA-N
Mol Weight 368.31 g/mol
Molecular Formula C17H12N4O6
Exact Mass 368.075684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9pD25vn2xY4
Name 4-(3,5-Dinitrobenzoyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12N4O6
InChI InChI=1S/C17H12N4O6/c1-10-15(17(23)19(18-10)12-5-3-2-4-6-12)16(22)11-7-13(20(24)25)9-14(8-11)21(26)27/h2-9,15H,1H3
InChIKey IMURLUBIDTVTPB-UHFFFAOYSA-N
Molecular Weight 368.305 g/mol
SMILES c1ccc(N2C(C(C(c3cc(N(=O)=O)cc(N(=O)=O)c3)=O)C(=N2)C)=O)cc1
SPLASH splash10-016r-9313000000-dffc8b1b8f580c1ba81a
Synonyms 4-(3,5-dinitrobenzoyl)-5-methyl-2-phenyl-2-pyrazolin-3-one 4-(3,5-dinitrobenzoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one 4-(3,5-dinitrophenyl)carbonyl-5-methyl-2-phenyl-4H-pyrazol-3-one 4-[(3,5-dinitrophenyl)-oxomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Wiley ID 1511684