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Ethyl 3-[(3-acetyl-1-phenyl-1H-4-pyrazolyl)carbonyl]-1-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID LLsmnD6wjOD
InChI InChI=1S/C31H26N4O5/c1-4-40-31(38)26-28(30(37)25-19-34(32-27(25)20(2)36)22-13-9-6-10-14-22)33-35(23-15-17-24(39-3)18-16-23)29(26)21-11-7-5-8-12-21/h5-19H,4H2,1-3H3
InChIKey CVQHQRZXZRHCJK-UHFFFAOYSA-N
Mol Weight 534.57 g/mol
Molecular Formula C31H26N4O5
Exact Mass 534.19032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QH5eu12N9Z
Name Ethyl 3-[(3-acetyl-1-phenyl-1H-4-pyrazolyl)carbonyl]-1-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-4-carboxylate
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H26N4O5
InChI InChI=1S/C31H26N4O5/c1-4-40-31(38)26-28(30(37)25-19-34(32-27(25)20(2)36)22-13-9-6-10-14-22)33-35(23-15-17-24(39-3)18-16-23)29(26)21-11-7-5-8-12-21/h5-19H,4H2,1-3H3
InChIKey CVQHQRZXZRHCJK-UHFFFAOYSA-N
Instrument Name AEI MS 30
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.e08
Molecular Weight 534.572 g/mol
SMILES C(C)OC(=O)c1c(n[n](c1-c1ccccc1)-c1ccc(cc1)OC)C(=O)c1c(n[n](c1)-c1ccccc1)C(C)=O
SPLASH splash10-0002-9012000000-63ff57e99c44f721d311
Source of Spectrum ARK-2009-96-8a
Wiley ID 1869894