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3-(1,2-Dimethyl-1H-indol-3-yl)-1-phenyl-2-(trifluoromethylsulfonyl)propan-1-one
SpectraBase Compound ID CbipQGzimDo
InChI InChI=1S/C20H18F3NO3S/c1-13-16(15-10-6-7-11-17(15)24(13)2)12-18(28(26,27)20(21,22)23)19(25)14-8-4-3-5-9-14/h3-11,18H,12H2,1-2H3
InChIKey JPMQNGJBZWBHSF-UHFFFAOYSA-N
Mol Weight 409.42 g/mol
Molecular Formula C20H18F3NO3S
Exact Mass 409.095949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CeG5scZHvfI
Name 3-(1,2-Dimethyl-1H-indol-3-yl)-1-phenyl-2-(trifluoromethylsulfonyl)propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18F3NO3S
InChI InChI=1S/C20H18F3NO3S/c1-13-16(15-10-6-7-11-17(15)24(13)2)12-18(28(26,27)20(21,22)23)19(25)14-8-4-3-5-9-14/h3-11,18H,12H2,1-2H3
InChIKey JPMQNGJBZWBHSF-UHFFFAOYSA-N
Molecular Weight 409.423 g/mol
SMILES C(S(C(F)(F)F)(=O)=O)(Cc1c([n](C)c2c1cccc2)C)C(=O)c1ccccc1
SPLASH splash10-0a6r-1930100000-bbdc5d1f4bd258da6d30
Source of Spectrum F-67-6336-4
Wiley ID 1687458