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Ethyl 3-(1-benzyl-4-benzylidene-5-oxo-imidazol-2-yl)sulfanylpropanoate
SpectraBase Compound ID HkkTIFVzMal
InChI InChI=1S/C22H22N2O3S/c1-2-27-20(25)13-14-28-22-23-19(15-17-9-5-3-6-10-17)21(26)24(22)16-18-11-7-4-8-12-18/h3-12,15H,2,13-14,16H2,1H3/b19-15-
InChIKey JNIZOFTUENKEAF-CYVLTUHYSA-N
Mol Weight 394.49 g/mol
Molecular Formula C22H22N2O3S
Exact Mass 394.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oO73uRCbt7
Name Ethyl 3-(1-benzyl-4-benzylidene-5-oxo-imidazol-2-yl)sulfanylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O3S
InChI InChI=1S/C22H22N2O3S/c1-2-27-20(25)13-14-28-22-23-19(15-17-9-5-3-6-10-17)21(26)24(22)16-18-11-7-4-8-12-18/h3-12,15H,2,13-14,16H2,1H3/b19-15-
InChIKey JNIZOFTUENKEAF-CYVLTUHYSA-N
Literature Reference DOI 10.1002/hc.10160
Molecular Weight 394.489 g/mol
SMILES C1(=O)\C(N=C(N1Cc1ccccc1)SCCC(OCC)=O)=C\c1ccccc1
SPLASH splash10-0006-4029000000-451d3d65a3f4f9492651
Source of Spectrum HAC-14-351-4m
Synonyms (Z)-ethyl 3-((1-benzyl-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-2-yl)thio)propanoate
Wiley ID 1775931