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Ethyl (E,Z)-2-((5-(2-(4-chlorophenyl)-2-oxoethylidene)-4-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl)thio)acetate
SpectraBase Compound ID 4SGWHKcLiVy
InChI InChI=1S/C21H17ClN2O4S/c1-2-28-19(26)13-29-21-23-20(27)17(24(21)16-6-4-3-5-7-16)12-18(25)14-8-10-15(22)11-9-14/h3-12H,2,13H2,1H3
InChIKey SEJQUTRHFCMNMH-UHFFFAOYSA-N
Mol Weight 428.89 g/mol
Molecular Formula C21H17ClN2O4S
Exact Mass 428.059756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IurYWYk86iP
Name Ethyl (E,Z)-2-((5-(2-(4-chlorophenyl)-2-oxoethylidene)-4-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl)thio)acetate
Appearance Pale yellow crystals
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Formula C21H17ClN2O4S
InChI InChI=1S/C21H17ClN2O4S/c1-2-28-19(26)13-29-21-23-20(27)17(24(21)16-6-4-3-5-7-16)12-18(25)14-8-10-15(22)11-9-14/h3-12H,2,13H2,1H3
InChIKey SEJQUTRHFCMNMH-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3871
Molecular Weight 428.890 g/mol
SMILES C(C)OC(CSC=1N(C(C(N1)=O)=CC(=O)c1ccc(cc1)Cl)c1ccccc1)=O
SPLASH splash10-004i-7925200000-b9c408101cddc5b7a862
Sample Comments (E/Z)-Mixture
Source of Spectrum Y-57-SM53-6b
Wiley ID 1860118