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Thiophene-2-carboxylic acid, 3-(4-chlorophenyl)-4-cyano-5-(1-methylpropylthio)-, ethyl ester
SpectraBase Compound ID 7WrOYqDUJWl
InChI InChI=1S/C18H18ClNO2S2/c1-4-11(3)23-18-14(10-20)15(12-6-8-13(19)9-7-12)16(24-18)17(21)22-5-2/h6-9,11H,4-5H2,1-3H3
InChIKey WQNGDNNFSTXNFA-UHFFFAOYSA-N
Mol Weight 379.92 g/mol
Molecular Formula C18H18ClNO2S2
Exact Mass 379.046749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BmMkDONcGWA
Name Thiophene-2-carboxylic acid, 3-(4-chlorophenyl)-4-cyano-5-(1-methylpropylthio)-, ethyl ester
Alternate Name(s) 3-(4-Chlorophenyl)-4-cyano-5-(sec-butylthio)thiophene-2-carboxylic acid ethyl ester 5-(butan-2-ylthio)-3-(4-chlorophenyl)-4-cyano-2-thiophenecarboxylic acid ethyl ester Ethyl 3-(4-chlorophenyl)-4-cyano-5-sec-butylsulfanyl-thiophene-2-carboxylate Ethyl 5-(sec-butylsulfanyl)-3-(4-chlorophenyl)-4-cyano-2-thiophenecarboxylate Ethyl 5-butan-2-ylsulfanyl-3-(4-chlorophenyl)-4-cyano-thiophene-2-carboxylate
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Formula C18H18ClNO2S2
InChI InChI=1S/C18H18ClNO2S2/c1-4-11(3)23-18-14(10-20)15(12-6-8-13(19)9-7-12)16(24-18)17(21)22-5-2/h6-9,11H,4-5H2,1-3H3
InChIKey WQNGDNNFSTXNFA-UHFFFAOYSA-N
Molecular Weight 379.920 g/mol
SMILES c1(c(sc(c1C#N)SC(CC)C)C(OCC)=O)-c1ccc(Cl)cc1
SPLASH splash10-052f-9132000000-62829a9501a505cd5e77
Source of Spectrum AD-0-2532-0
Wiley ID 1426591