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3-Fluoro-3-(1H-indol-3-ylsulfanyl)-2-trifluoromethyl-acrylic acid methyl ester
SpectraBase Compound ID LYglunjj3tb
InChI InChI=1S/C13H9F4NO2S/c1-20-12(19)10(13(15,16)17)11(14)21-9-6-18-8-5-3-2-4-7(8)9/h2-6,18H,1H3/b11-10+
InChIKey LWPOYWUMTSKIMZ-ZHACJKMWSA-N
Mol Weight 319.27 g/mol
Molecular Formula C13H9F4NO2S
Exact Mass 319.029012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INodIXAsm46
Name 3-Fluoro-3-(1H-indol-3-ylsulfanyl)-2-trifluoromethyl-acrylic acid methyl ester
Alternate Name(s) (E)-3-fluoro-3-(1H-indol-3-ylthio)-2-(trifluoromethyl)-2-propenoic acid methyl ester (E)-3-fluoro-3-(1H-indol-3-ylthio)-2-(trifluoromethyl)acrylic acid methyl ester Methyl (2E)-3-fluoro-3-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)-2-propenoate Methyl (E)-3-fluoranyl-3-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)prop-2-enoate Methyl (E)-3-fluoro-3-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)prop-2-enoate
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Formula C13H9F4NO2S
InChI InChI=1S/C13H9F4NO2S/c1-20-12(19)10(13(15,16)17)11(14)21-9-6-18-8-5-3-2-4-7(8)9/h2-6,18H,1H3/b11-10+
InChIKey LWPOYWUMTSKIMZ-ZHACJKMWSA-N
Molecular Weight 319.274 g/mol
SMILES [nH]1c2c(c(c1)S\C(=C\(C(F)(F)F)C(=O)OC)F)cccc2
SPLASH splash10-05mk-7951000000-79d5929dc30d11d3edaf
Wiley ID 1463126