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5-(trifluoromethylsulfonyloxy)-1H-indole-2-carboxylic acid ethyl ester
SpectraBase Compound ID HoRp5t15yYz
InChI InChI=1S/C12H10F3NO5S/c1-2-20-11(17)10-6-7-5-8(3-4-9(7)16-10)21-22(18,19)12(13,14)15/h3-6,16H,2H2,1H3
InChIKey ACHTWKAPVGISPJ-UHFFFAOYSA-N
Mol Weight 337.27 g/mol
Molecular Formula C12H10F3NO5S
Exact Mass 337.023178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bvx47DuhwQR
Name 5-(trifluoromethylsulfonyloxy)-1H-indole-2-carboxylic acid ethyl ester
Alternate Name(s) 5-triflyloxy-1H-indole-2-carboxylic acid ethyl ester ethyl 5-{[(trifluoromethyl)sulfonyl]oxy}-1H-indole-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C12H10F3NO5S
InChI InChI=1S/C12H10F3NO5S/c1-2-20-11(17)10-6-7-5-8(3-4-9(7)16-10)21-22(18,19)12(13,14)15/h3-6,16H,2H2,1H3
InChIKey ACHTWKAPVGISPJ-UHFFFAOYSA-N
Molecular Weight 337.269 g/mol
SMILES [nH]1c(cc2cc(ccc12)OS(C(F)(F)F)(=O)=O)C(=O)OCC
SPLASH splash10-0a4i-0092000000-9ce6dc0f144ce9e1be34
Source of Spectrum PS-54-56-16
Wiley ID 805236