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1-{4-[4-benzoyl-1-(4-nitrophenyl)-1H-pyrazole-3-carbonyl]-1-phenyl-1H-pyrazol-3-yl}-3-dimethylamino-propenone
SpectraBase Compound ID IPEBgvS4mlq
InChI InChI=1S/C31H24N6O5/c1-34(2)28(38)18-17-27-25(19-35(32-27)22-11-7-4-8-12-22)31(40)29-26(30(39)21-9-5-3-6-10-21)20-36(33-29)23-13-15-24(16-14-23)37(41)42/h3-20H,1-2H3/b18-17+
InChIKey HBFIWWQBRQTKOS-ISLYRVAYSA-N
Mol Weight 560.57 g/mol
Molecular Formula C31H24N6O5
Exact Mass 560.180818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pOZJTa5ZR9
Name 1-{4-[4-benzoyl-1-(4-nitrophenyl)-1H-pyrazole-3-carbonyl]-1-phenyl-1H-pyrazol-3-yl}-3-dimethylamino-propenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H24N6O5
InChI InChI=1S/C31H24N6O5/c1-34(2)28(38)18-17-27-25(19-35(32-27)22-11-7-4-8-12-22)31(40)29-26(30(39)21-9-5-3-6-10-21)20-36(33-29)23-13-15-24(16-14-23)37(41)42/h3-20H,1-2H3/b18-17+
InChIKey HBFIWWQBRQTKOS-ISLYRVAYSA-N
Molecular Weight 560.570 g/mol
SMILES c1(c(n[n](c1)-c1ccc(N(=O)=O)cc1)C(c1c[n](-c2ccccc2)nc1\C=C\C(N(C)C)=O)=O)C(=O)c1ccccc1
SPLASH splash10-0a4i-8910230000-1635a88a1bee0a28aa63
Source of Spectrum F2-45-1048-5d
Wiley ID 1689089