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3-Perfluorobutyl-1H-indole
SpectraBase Compound ID 81RdA5iPjP0
InChI InChI=1S/C12H6F9N/c13-10(14,15)9(11(16,17)18,12(19,20)21)7-5-22-8-4-2-1-3-6(7)8/h1-5,22H
InChIKey SHPKGQBRVSXSKT-UHFFFAOYSA-N
Mol Weight 335.17 g/mol
Molecular Formula C12H6F9N
Exact Mass 335.035653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWBgNqQxTXT
Name 3-Perfluorobutyl-1H-indole
Alternate Name(s) 3-(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl)-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6F9N
InChI InChI=1S/C12H6F9N/c13-10(14,15)9(11(16,17)18,12(19,20)21)7-5-22-8-4-2-1-3-6(7)8/h1-5,22H
InChIKey SHPKGQBRVSXSKT-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.jfluchem.2014.02.008
Molecular Weight 335.173 g/mol
SMILES [nH]1cc(c2c1cccc2)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
SPLASH splash10-014i-1902000000-32c6ee89bee281d83b08
Source of Spectrum JFC-161-155-21
Wiley ID 1746515