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2-Propen-1-one, 1-(4,5-dibenzoyl-1H-pyrazol-3-yl)-3-phenyl-, (E)-
SpectraBase Compound ID 3l9L0G1lPGj
InChI InChI=1S/C26H18N2O3/c29-21(17-16-18-10-4-1-5-11-18)23-22(25(30)19-12-6-2-7-13-19)24(28-27-23)26(31)20-14-8-3-9-15-20/h1-17H,(H,27,28)/b17-16+
InChIKey KQNMOCRKWJERCI-WUKNDPDISA-N
Mol Weight 406.44 g/mol
Molecular Formula C26H18N2O3
Exact Mass 406.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVXdZ25GTaB
Name 2-Propen-1-one, 1-(4,5-dibenzoyl-1H-pyrazol-3-yl)-3-phenyl-, (E)-
CAS Registry Number 108163-66-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H18N2O3
InChI InChI=1S/C26H18N2O3/c29-21(17-16-18-10-4-1-5-11-18)23-22(25(30)19-12-6-2-7-13-19)24(28-27-23)26(31)20-14-8-3-9-15-20/h1-17H,(H,27,28)/b17-16+
InChIKey KQNMOCRKWJERCI-WUKNDPDISA-N
Molecular Weight 406.441 g/mol
SMILES [nH]1nc(c(c1C(=O)c1ccccc1)C(=O)c1ccccc1)C(\C=C\c1ccccc1)=O
SPLASH splash10-056r-9700100000-daa85b9e19facaa7c5ba
Source of Spectrum AJ-59-2860-29
Synonyms (2E)-1-(4,5-dibenzoyl-1H-pyrazol-3-yl)-3-phenyl-2-propen-1-one 3-(2-Phenylethenylcarbonyl)-4,5-di(benzoyl)pyrazole
Wiley ID 1372375