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4-Bromo-2-butyl-3-(phenylthio)-1H-indole
SpectraBase Compound ID 2iUW7tLxNK1
InChI InChI=1S/C18H18BrNS/c1-2-3-11-16-18(21-13-8-5-4-6-9-13)17-14(19)10-7-12-15(17)20-16/h4-10,12,20H,2-3,11H2,1H3
InChIKey AILNKRFNDDZFOW-UHFFFAOYSA-N
Mol Weight 360.31 g/mol
Molecular Formula C18H18BrNS
Exact Mass 359.034334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15EjPJpfAmI
Name 4-Bromo-2-butyl-3-(phenylthio)-1H-indole
Alternate Name(s) 4-Bromo-2-butyl-3-phenylsulfanyl-1H-indole 4-Bromanyl-2-butyl-3-phenylsulfanyl-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18BrNS
InChI InChI=1S/C18H18BrNS/c1-2-3-11-16-18(21-13-8-5-4-6-9-13)17-14(19)10-7-12-15(17)20-16/h4-10,12,20H,2-3,11H2,1H3
InChIKey AILNKRFNDDZFOW-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo200406f
Molecular Weight 360.313 g/mol
SMILES [nH]1c(c(c2c1cccc2Br)Sc1ccccc1)CCCC
SPLASH splash10-0kbr-6093000000-3b4f16799f8a5cfe8cbd
Source of Spectrum J-76-3435-27d
Wiley ID 1744800