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1-{4-[4-benzoyl-1-(4-methylphenyl)-1H-pyrazole-3-carbonyl]-1-phenyl-1H-pyrazol-3-yl}-3-dimethylamino-propenone
SpectraBase Compound ID B39OlgtClhu
InChI InChI=1S/C32H27N5O3/c1-22-14-16-25(17-15-22)37-21-27(31(39)23-10-6-4-7-11-23)30(34-37)32(40)26-20-36(24-12-8-5-9-13-24)33-28(26)18-19-29(38)35(2)3/h4-21H,1-3H3/b19-18+
InChIKey BBEIHCLWUWWHRJ-VHEBQXMUSA-N
Mol Weight 529.6 g/mol
Molecular Formula C32H27N5O3
Exact Mass 529.21139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EgoiotepRn
Name 1-{4-[4-benzoyl-1-(4-methylphenyl)-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 C32H27N5O3
InChI InChI=1S/C32H27N5O3/c1-22-14-16-25(17-15-22)37-21-27(31(39)23-10-6-4-7-11-23)30(34-37)32(40)26-20-36(24-12-8-5-9-13-24)33-28(26)18-19-29(38)35(2)3/h4-21H,1-3H3/b19-18+
InChIKey BBEIHCLWUWWHRJ-VHEBQXMUSA-N
Molecular Weight 529.600 g/mol
SMILES c1(c(n[n](c1)-c1ccc(cc1)C)C(c1c[n](-c2ccccc2)nc1\C=C\C(N(C)C)=O)=O)C(=O)c1ccccc1
SPLASH splash10-056s-9620030000-6c4114858563a24e8f27
Source of Spectrum F2-45-1047-5b
Wiley ID 1689091