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4-(4-Chlorophenyl)-2-(3,4-dichlorophenyl)-6-(methylthio)benzoic acid methyl ester
SpectraBase Compound ID CyoyaSlxGlC
InChI InChI=1S/C21H15Cl3O2S/c1-26-21(25)20-16(13-5-8-17(23)18(24)10-13)9-14(11-19(20)27-2)12-3-6-15(22)7-4-12/h3-11H,1-2H3
InChIKey OQDGXABPTGERGJ-UHFFFAOYSA-N
Mol Weight 437.77 g/mol
Molecular Formula C21H15Cl3O2S
Exact Mass 435.985834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGIhgkUPhk8
Name 4-(4-Chlorophenyl)-2-(3,4-dichlorophenyl)-6-(methylthio)benzoic acid methyl ester
Alternate Name(s) Methyl 4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-6-methylsulfanylbenzoate
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Formula C21H15Cl3O2S
InChI InChI=1S/C21H15Cl3O2S/c1-26-21(25)20-16(13-5-8-17(23)18(24)10-13)9-14(11-19(20)27-2)12-3-6-15(22)7-4-12/h3-11H,1-2H3
InChIKey OQDGXABPTGERGJ-UHFFFAOYSA-N
Molecular Weight 437.768 g/mol
SMILES c1(c(cc(cc1SC)-c1ccc(cc1)Cl)-c1cc(Cl)c(cc1)Cl)C(=O)OC
SPLASH splash10-0a4r-0000900000-8712831860067974df17
Source of Spectrum SO-0-168-2
Wiley ID 875304