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1-Tosyl-5-(trifluoromethyl)-1H-indole
SpectraBase Compound ID BXMMF74cbPL
InChI InChI=1S/C16H12F3NO2S/c1-11-2-5-14(6-3-11)23(21,22)20-9-8-12-10-13(16(17,18)19)4-7-15(12)20/h2-10H,1H3
InChIKey YFLSNOMVQQAJMP-UHFFFAOYSA-N
Mol Weight 339.33 g/mol
Molecular Formula C16H12F3NO2S
Exact Mass 339.054084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35NhhbCuPGg
Name 1-Tosyl-5-(trifluoromethyl)-1H-indole
Alternate Name(s) 1-(p-tolylsulfonyl)-5-(trifluoromethyl)indole 1-(4-Methylphenyl)sulfonyl-5-(trifluoromethyl)indole
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Formula C16H12F3NO2S
InChI InChI=1S/C16H12F3NO2S/c1-11-2-5-14(6-3-11)23(21,22)20-9-8-12-10-13(16(17,18)19)4-7-15(12)20/h2-10H,1H3
InChIKey YFLSNOMVQQAJMP-UHFFFAOYSA-N
Molecular Weight 339.332 g/mol
SMILES c12[n](S(c3ccc(cc3)C)(=O)=O)ccc1cc(C(F)(F)F)cc2
SPLASH splash10-052o-9506000000-385f0c729b7a79c952de
Source of Spectrum F4-46-S9-3zd
Wiley ID 1742207