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3-(4-benzylidene-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl)-3-oxopropanenitrile
SpectraBase Compound ID 9kMWTfYWF6N
InChI InChI=1S/C19H13N3O2/c20-12-11-17(23)22-18(15-9-5-2-6-10-15)21-16(19(22)24)13-14-7-3-1-4-8-14/h1-10,13H,11H2
InChIKey DKLGTMCTZPWLMS-UHFFFAOYSA-N
Mol Weight 315.33 g/mol
Molecular Formula C19H13N3O2
Exact Mass 315.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75X0r71QYtU
Name 3-(4-benzylidene-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl)-3-oxopropanenitrile
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13N3O2
InChI InChI=1S/C19H13N3O2/c20-12-11-17(23)22-18(15-9-5-2-6-10-15)21-16(19(22)24)13-14-7-3-1-4-8-14/h1-10,13H,11H2
InChIKey DKLGTMCTZPWLMS-UHFFFAOYSA-N
Instrument Name Shimadzu QP-2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3788
Molecular Weight 315.332 g/mol
SMILES c1(ccccc1)C=C1N=C(N(C1=O)C(CC#N)=O)c1ccccc1
SPLASH splash10-0fvi-4930000000-f612f3fe683824e513e8
Source of Spectrum Y-57-384-5
Wiley ID 1859806