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3-(4-benzylidene-5-oxo-2-phenyl-4,5-dihydro-1H-imidazole-1-yl)-2-(2-nitrophenyl diazenyl)-3-oxopropanenitrile
SpectraBase Compound ID 64NdnjrWhyV
InChI InChI=1S/C25H16N6O4/c26-16-21(29-28-19-13-7-8-14-22(19)31(34)35)25(33)30-23(18-11-5-2-6-12-18)27-20(24(30)32)15-17-9-3-1-4-10-17/h1-15,21H
InChIKey DSZNWDTYRAGWIE-UHFFFAOYSA-N
Mol Weight 464.44 g/mol
Molecular Formula C25H16N6O4
Exact Mass 464.123303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6R5cAXdd1FH
Name 3-(4-benzylidene-5-oxo-2-phenyl-4,5-dihydro-1H-imidazole-1-yl)-2-(2-nitrophenyl diazenyl)-3-oxopropanenitrile
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H16N6O4
InChI InChI=1S/C25H16N6O4/c26-16-21(29-28-19-13-7-8-14-22(19)31(34)35)25(33)30-23(18-11-5-2-6-12-18)27-20(24(30)32)15-17-9-3-1-4-10-17/h1-15,21H
InChIKey DSZNWDTYRAGWIE-UHFFFAOYSA-N
Instrument Name Shimadzu QP-2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3788
Molecular Weight 464.441 g/mol
SMILES c1(ccccc1)C=C1N=C(N(C1=O)C(C(C#N)N=Nc1c(cccc1)[N+](=O)[O-])=O)c1ccccc1
SPLASH splash10-002r-4190000000-ff372d900301ce8c0253
Source of Spectrum Y-57-386-8c
Wiley ID 1859811