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3-Fluoro-3-(2-phenyl-1H-indol-3-ylsulfanyl)-2-trifluoromethyl-acrylic acid methyl ester
SpectraBase Compound ID BReT7RhB0ei
InChI InChI=1S/C19H13F4NO2S/c1-26-18(25)14(19(21,22)23)17(20)27-16-12-9-5-6-10-13(12)24-15(16)11-7-3-2-4-8-11/h2-10,24H,1H3/b17-14+
InChIKey BAUYQQFSOGHOLU-SAPNQHFASA-N
Mol Weight 395.37 g/mol
Molecular Formula C19H13F4NO2S
Exact Mass 395.060312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6buOOMNXmXM
Name 3-Fluoro-3-(2-phenyl-1H-indol-3-ylsulfanyl)-2-trifluoromethyl-acrylic acid methyl ester
Alternate Name(s) (E)-3-fluoro-3-[(2-phenyl-1H-indol-3-yl)thio]-2-(trifluoromethyl)-2-propenoic acid methyl ester (E)-3-fluoro-3-[(2-phenyl-1H-indol-3-yl)thio]-2-(trifluoromethyl)acrylic acid methyl ester Methyl (2E)-3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)-2-propenoate Methyl (E)-3-fluoranyl-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate Methyl (E)-3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate
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Formula C19H13F4NO2S
InChI InChI=1S/C19H13F4NO2S/c1-26-18(25)14(19(21,22)23)17(20)27-16-12-9-5-6-10-13(12)24-15(16)11-7-3-2-4-8-11/h2-10,24H,1H3/b17-14+
InChIKey BAUYQQFSOGHOLU-SAPNQHFASA-N
Molecular Weight 395.372 g/mol
SMILES [nH]1c2c(c(c1-c1ccccc1)S\C(=C\(C(F)(F)F)C(=O)OC)F)cccc2
SPLASH splash10-00dj-2496000000-19a1f63e56733b46192b
Wiley ID 1463123