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2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-6-(methylthio)benzoic acid methyl ester
SpectraBase Compound ID HbSN8VL0mpM
InChI InChI=1S/C21H15Cl2FO2S/c1-26-21(25)20-16(13-5-8-17(22)18(23)10-13)9-14(11-19(20)27-2)12-3-6-15(24)7-4-12/h3-11H,1-2H3
InChIKey ASUMVFUDZKQESA-UHFFFAOYSA-N
Mol Weight 421.31 g/mol
Molecular Formula C21H15Cl2FO2S
Exact Mass 420.015384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdhgqgFI4z6
Name 2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-6-(methylthio)benzoic acid methyl ester
Alternate Name(s) Methyl 2-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-6-methylsulfanylbenzoate
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Formula C21H15Cl2FO2S
InChI InChI=1S/C21H15Cl2FO2S/c1-26-21(25)20-16(13-5-8-17(22)18(23)10-13)9-14(11-19(20)27-2)12-3-6-15(24)7-4-12/h3-11H,1-2H3
InChIKey ASUMVFUDZKQESA-UHFFFAOYSA-N
Molecular Weight 421.313 g/mol
SMILES c1(c(cc(cc1SC)-c1ccc(cc1)F)-c1cc(Cl)c(cc1)Cl)C(=O)OC
SPLASH splash10-00du-0009600000-55408363176b4cc0a549
Source of Spectrum SO-0-169-2
Wiley ID 875301