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Difluoro-(2-phenyl-1H-indol-3-ylsulfanyl)-acetic acid methyl ester
SpectraBase Compound ID Dt6EgivVknV
InChI InChI=1S/C17H13F2NO2S/c1-22-16(21)17(18,19)23-15-12-9-5-6-10-13(12)20-14(15)11-7-3-2-4-8-11/h2-10,20H,1H3
InChIKey SPYNGSHLGHZNRS-UHFFFAOYSA-N
Mol Weight 333.35 g/mol
Molecular Formula C17H13F2NO2S
Exact Mass 333.063506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4qNLjijzDi
Name Difluoro-(2-phenyl-1H-indol-3-ylsulfanyl)-acetic acid methyl ester
Alternate Name(s) 2,2-Difluoro-2-[(2-phenyl-1H-indol-3-yl)thio]acetic acid methyl ester Methyl 2,2-bis(fluoranyl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanoate Methyl 2,2-difluoro-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate Methyl difluoro[(2-phenyl-1H-indol-3-yl)sulfanyl]acetate
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Formula C17H13F2NO2S
InChI InChI=1S/C17H13F2NO2S/c1-22-16(21)17(18,19)23-15-12-9-5-6-10-13(12)20-14(15)11-7-3-2-4-8-11/h2-10,20H,1H3
InChIKey SPYNGSHLGHZNRS-UHFFFAOYSA-N
Molecular Weight 333.353 g/mol
SMILES [nH]1c2c(c(c1-c1ccccc1)SC(C(OC)=O)(F)F)cccc2
SPLASH splash10-00di-2391000000-dd2cb47b8e9ce620ca27
Wiley ID 1464371