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2-(Chloro-difluoro-methyl)-3-fluoro-3-(4-hydroxy-3-methyl-phenylsulfanyl)-acrylic acid methyl ester
SpectraBase Compound ID 80BOQinx7j3
InChI InChI=1S/C12H10ClF3O3S/c1-6-5-7(3-4-8(6)17)20-10(14)9(11(18)19-2)12(13,15)16/h3-5,17H,1-2H3/b10-9+
InChIKey RZKXOUHLVKDITK-MDZDMXLPSA-N
Mol Weight 326.72 g/mol
Molecular Formula C12H10ClF3O3S
Exact Mass 325.999128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46hW8TgGsj8
Name 2-(Chloro-difluoro-methyl)-3-fluoro-3-(4-hydroxy-3-methyl-phenylsulfanyl)-acrylic acid methyl ester
Alternate Name(s) (E)-2-[chloro(difluoro)methyl]-3-fluoro-3-[(4-hydroxy-3-methyl-phenyl)thio]acrylic acid methyl ester (E)-2-[chloro(difluoro)methyl]-3-fluoro-3-[(4-hydroxy-3-methylphenyl)thio]-2-propenoic acid methyl ester Methyl (2E)-2-[chloro(difluoro)methyl]-3-fluoro-3-[(4-hydroxy-3-methylphenyl)sulfanyl]-2-propenoate Methyl (E)-2-[chloranyl-bis(fluoranyl)methyl]-3-fluoranyl-3-(3-methyl-4-oxidanyl-phenyl)sulfanyl-prop-2-enoate Methyl (E)-2-[chloro(difluoro)methyl]-3-fluoro-3-(4-hydroxy-3-methyl-phenyl)sulfanyl-prop-2-enoate
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Formula C12H10ClF3O3S
InChI InChI=1S/C12H10ClF3O3S/c1-6-5-7(3-4-8(6)17)20-10(14)9(11(18)19-2)12(13,15)16/h3-5,17H,1-2H3/b10-9+
InChIKey RZKXOUHLVKDITK-MDZDMXLPSA-N
Molecular Weight 326.717 g/mol
SMILES Oc1ccc(S\C(=C\(C(Cl)(F)F)C(=O)OC)F)cc1C
SPLASH splash10-004i-8595000000-f5bac78b0470c600f2cf
Wiley ID 1463121