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3,3,3-Trifluoro-2-(1H-indol-3-ylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester
SpectraBase Compound ID 6GULVEvSngM
InChI InChI=1S/C13H9F6NO2S/c1-22-10(21)11(12(14,15)16,13(17,18)19)23-9-6-20-8-5-3-2-4-7(8)9/h2-6,20H,1H3
InChIKey DYTMEBSAVISOHR-UHFFFAOYSA-N
Mol Weight 357.27 g/mol
Molecular Formula C13H9F6NO2S
Exact Mass 357.025819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LS6tVIayKQM
Name 3,3,3-Trifluoro-2-(1H-indol-3-ylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester
Alternate Name(s) 3,3,3-trifluoro-2-(1H-indol-3-ylthio)-2-(trifluoromethyl)propanoic acid methyl ester 3,3,3-trifluoro-2-(1H-indol-3-ylthio)-2-(trifluoromethyl)propionic acid methyl ester Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate Methyl 3,3,3-tris(fluoranyl)-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate
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Formula C13H9F6NO2S
InChI InChI=1S/C13H9F6NO2S/c1-22-10(21)11(12(14,15)16,13(17,18)19)23-9-6-20-8-5-3-2-4-7(8)9/h2-6,20H,1H3
InChIKey DYTMEBSAVISOHR-UHFFFAOYSA-N
Molecular Weight 357.270 g/mol
SMILES [nH]1c2c(c(c1)SC(C(OC)=O)(C(F)(F)F)C(F)(F)F)cccc2
SPLASH splash10-0002-3900000000-2d7d36d4c664c9df1940
Wiley ID 1464345