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5-Formyl-1-[4'-(ethoxycarbonyl)benzyl]-2-(methylthio)-imidazole - diethylacetal
SpectraBase Compound ID 3SMwSTlHMPk
InChI InChI=1S/C19H26N2O4S/c1-5-23-17(22)15-10-8-14(9-11-15)13-21-16(12-20-19(21)26-4)18(24-6-2)25-7-3/h8-12,18H,5-7,13H2,1-4H3
InChIKey SQVJYLLZLJXTFB-UHFFFAOYSA-N
Mol Weight 378.49 g/mol
Molecular Formula C19H26N2O4S
Exact Mass 378.161328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A968l3XlHP5
Name 5-Formyl-1-[4'-(ethoxycarbonyl)benzyl]-2-(methylthio)-imidazole - diethylacetal
Alternate Name(s) 4-[[5-(diethoxymethyl)-2-(methylthio)-1-imidazolyl]methyl]benzoic acid ethyl ester Ethyl 4-[[5-(diethoxymethyl)-2-methylsulfanylimidazol-1-yl]methyl]benzoate Ethyl 4-[[5-(diethoxymethyl)-2-methylsulfanyl-imidazol-1-yl]methyl]benzoate
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Formula C19H26N2O4S
InChI InChI=1S/C19H26N2O4S/c1-5-23-17(22)15-10-8-14(9-11-15)13-21-16(12-20-19(21)26-4)18(24-6-2)25-7-3/h8-12,18H,5-7,13H2,1-4H3
InChIKey SQVJYLLZLJXTFB-UHFFFAOYSA-N
Molecular Weight 378.487 g/mol
SMILES c1([n](c(nc1)SC)Cc1ccc(C(=O)OCC)cc1)C(OCC)OCC
SPLASH splash10-03dr-1922000000-098e9beb01d35a85ac6b
Source of Spectrum Y-39-371-6
Wiley ID 1528452