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Ethyl 4-[1,5-Diphenyl-4-ethoxycarbonyl-1H-pyrazole-3-carbonyl]-1-phenyl-1H-pyrazole-3-carboxylate
SpectraBase Compound ID BMXSMhoBsyv
InChI InChI=1S/C31H26N4O5/c1-3-39-30(37)25-27(33-35(23-18-12-7-13-19-23)28(25)21-14-8-5-9-15-21)29(36)24-20-34(22-16-10-6-11-17-22)32-26(24)31(38)40-4-2/h5-20H,3-4H2,1-2H3
InChIKey JRGICRWTXZCFQC-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 3aimcdATxvi
Name Ethyl 4-[1,5-Diphenyl-4-ethoxycarbonyl-1H-pyrazole-3-carbonyl]-1-phenyl-1H-pyrazole-3-carboxylate
Appearance Yellow crystals
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Formula C31H26N4O5
InChI InChI=1S/C31H26N4O5/c1-3-39-30(37)25-27(33-35(23-18-12-7-13-19-23)28(25)21-14-8-5-9-15-21)29(36)24-20-34(22-16-10-6-11-17-22)32-26(24)31(38)40-4-2/h5-20H,3-4H2,1-2H3
InChIKey JRGICRWTXZCFQC-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-Q1000-EX-HP 5988-A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0013.525
Molecular Weight 534.572 g/mol
SMILES c1(n[n](cc1C(=O)c1n[n](c(c1C(=O)OCC)-c1ccccc1)-c1ccccc1)-c1ccccc1)C(=O)OCC
SPLASH splash10-004i-9700000000-96d4be7ae84e3a732a64
Source of Spectrum ARK-2012-308-10
Wiley ID 1864640