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4-(4-benzylidene-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 3KRWheNO24O
InChI InChI=1S/C27H22N4O2/c1-19-24(27(33)31(29(19)2)22-16-10-5-11-17-22)30-25(21-14-8-4-9-15-21)28-23(26(30)32)18-20-12-6-3-7-13-20/h3-18H,1-2H3
InChIKey YGINYNCYIKASCN-UHFFFAOYSA-N
Mol Weight 434.5 g/mol
Molecular Formula C27H22N4O2
Exact Mass 434.174276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5sauWoo7W0
Name 4-(4-benzylidene-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22N4O2
InChI InChI=1S/C27H22N4O2/c1-19-24(27(33)31(29(19)2)22-16-10-5-11-17-22)30-25(21-14-8-4-9-15-21)28-23(26(30)32)18-20-12-6-3-7-13-20/h3-18H,1-2H3
InChIKey YGINYNCYIKASCN-UHFFFAOYSA-N
Instrument Name Shimadzu QP-2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3788
Molecular Weight 434.499 g/mol
SMILES c1(ccccc1)C=C1N=C(N(C1=O)C=1C(N(N(C1C)C)c1ccccc1)=O)c1ccccc1
SPLASH splash10-0ufs-8940000000-ed7d9dd18d314f454989
Source of Spectrum Y-57-387-13
Wiley ID 1859800