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1H-Indole, 3-(2,3-dibromo-3-methylbutyl)-1-(phenylsulfonyl)-, (.+-.)-
SpectraBase Compound ID DklV0bz0eYk
InChI InChI=1S/C19H19Br2NO2S/c1-19(2,21)18(20)12-14-13-22(17-11-7-6-10-16(14)17)25(23,24)15-8-4-3-5-9-15/h3-11,13,18H,12H2,1-2H3
InChIKey ILNUXNUFYMEBIW-UHFFFAOYSA-N
Mol Weight 485.23 g/mol
Molecular Formula C19H19Br2NO2S
Exact Mass 482.950326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9AaG2HjkHMb
Name 1H-Indole, 3-(2,3-dibromo-3-methylbutyl)-1-(phenylsulfonyl)-, (.+-.)-
Alternate Name(s) 3-(2,3-dibromo-3-methylbutyl)-1-(phenylsulfonyl)-1H-indole N-phenylsulfonyl-3-(2',3'-dibromo-3'-methyl-butyl)-indole
CAS Registry Number 114906-99-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19Br2NO2S
InChI InChI=1S/C19H19Br2NO2S/c1-19(2,21)18(20)12-14-13-22(17-11-7-6-10-16(14)17)25(23,24)15-8-4-3-5-9-15/h3-11,13,18H,12H2,1-2H3
InChIKey ILNUXNUFYMEBIW-UHFFFAOYSA-N
Molecular Weight 485.234 g/mol
SMILES c1[n](S(=O)(=O)c2ccccc2)c2c(c1CC(C(Br)(C)C)Br)cccc2
SPLASH splash10-00fr-9771500000-937cb446933d0191e69a
Source of Spectrum J-53-3175-4
Wiley ID 1395772