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Ethyl 3-[(3-acetyl-1-phenyl-1H-4-pyrazolyl)carbonyl]-1-(4-methylphenyl)-5-phenyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID 1V6nPDfqJ6E
InChI InChI=1S/C31H26N4O4/c1-4-39-31(38)26-28(30(37)25-19-34(32-27(25)21(3)36)23-13-9-6-10-14-23)33-35(24-17-15-20(2)16-18-24)29(26)22-11-7-5-8-12-22/h5-19H,4H2,1-3H3
InChIKey MWIDQTCTGNDEIP-UHFFFAOYSA-N
Mol Weight 518.57 g/mol
Molecular Formula C31H26N4O4
Exact Mass 518.195405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJeS0qVHedO
Name Ethyl 3-[(3-acetyl-1-phenyl-1H-4-pyrazolyl)carbonyl]-1-(4-methylphenyl)-5-phenyl-1H-pyrazole-4-carboxylate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H26N4O4
InChI InChI=1S/C31H26N4O4/c1-4-39-31(38)26-28(30(37)25-19-34(32-27(25)21(3)36)23-13-9-6-10-14-23)33-35(24-17-15-20(2)16-18-24)29(26)22-11-7-5-8-12-22/h5-19H,4H2,1-3H3
InChIKey MWIDQTCTGNDEIP-UHFFFAOYSA-N
Instrument Name AEI MS 30
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.e08
Molecular Weight 518.573 g/mol
SMILES C(C)OC(=O)c1c(n[n](c1-c1ccccc1)-c1ccc(cc1)C)C(=O)c1c(n[n](c1)-c1ccccc1)C(C)=O
SPLASH splash10-0ik9-1590010000-2072788a77e2c3f4de49
Source of Spectrum ARK-2009-96-8b
Wiley ID 1869895