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Ethyl (E,Z)-2-((5-(2-(4-chlorophenyl)-2-oxoethylidene)-4-oxo-1-(p-tolyl)-4,5-dihydro-1H-imidazol-2-yl)thio)acetate
SpectraBase Compound ID 18N5LwexKr
InChI InChI=1S/C22H19ClN2O4S/c1-3-29-20(27)13-30-22-24-21(28)18(25(22)17-10-4-14(2)5-11-17)12-19(26)15-6-8-16(23)9-7-15/h4-12H,3,13H2,1-2H3
InChIKey DQCJHCKCHYDERM-UHFFFAOYSA-N
Mol Weight 442.92 g/mol
Molecular Formula C22H19ClN2O4S
Exact Mass 442.075406 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBJXNfEwQLN
Name Ethyl (E,Z)-2-((5-(2-(4-chlorophenyl)-2-oxoethylidene)-4-oxo-1-(p-tolyl)-4,5-dihydro-1H-imidazol-2-yl)thio)acetate
Appearance Pale yellow crystals
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Formula C22H19ClN2O4S
InChI InChI=1S/C22H19ClN2O4S/c1-3-29-20(27)13-30-22-24-21(28)18(25(22)17-10-4-14(2)5-11-17)12-19(26)15-6-8-16(23)9-7-15/h4-12H,3,13H2,1-2H3
InChIKey DQCJHCKCHYDERM-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3871
Molecular Weight 442.917 g/mol
SMILES C(C)OC(CSC=1N(C(C(N1)=O)=CC(=O)c1ccc(cc1)Cl)c1ccc(cc1)C)=O
SPLASH splash10-004i-5925200000-92209bbd43b8e2081aa7
Sample Comments (E/Z)-Mixture
Source of Spectrum Y-57-SM56-6c
Wiley ID 1860119