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Ethyl 2-(1-benzyl-4-benzylidene-5-oxo-imidazol-2-yl)sulfanylpropanoate
SpectraBase Compound ID CDFNLTGUmb6
InChI InChI=1S/C22H22N2O3S/c1-3-27-21(26)16(2)28-22-23-19(14-17-10-6-4-7-11-17)20(25)24(22)15-18-12-8-5-9-13-18/h4-14,16H,3,15H2,1-2H3/b19-14-
InChIKey TVOVQBZMTHFLAX-RGEXLXHISA-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 B3hQciWkoyW
Name Ethyl 2-(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/c1-3-27-21(26)16(2)28-22-23-19(14-17-10-6-4-7-11-17)20(25)24(22)15-18-12-8-5-9-13-18/h4-14,16H,3,15H2,1-2H3/b19-14-
InChIKey TVOVQBZMTHFLAX-RGEXLXHISA-N
Literature Reference DOI 10.1002/hc.10160
Molecular Weight 394.489 g/mol
SMILES C1(=O)\C(N=C(N1Cc1ccccc1)SC(C(=O)OCC)C)=C\c1ccccc1
SPLASH splash10-0006-4239000000-b3634c3897908cfa7233
Source of Spectrum HAC-14-351-4n
Synonyms (Z)-ethyl 2-((1-benzyl-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-2-yl)thio)propanoate
Wiley ID 1775932