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2-Butyl-6,7-dichloro-4-(methylthio)-1H-indole-5-carbonitrile
SpectraBase Compound ID 3XqP8S90SqG
InChI InChI=1S/C14H14Cl2N2S/c1-3-4-5-8-6-9-13(18-8)12(16)11(15)10(7-17)14(9)19-2/h6,18H,3-5H2,1-2H3
InChIKey FMAULWSSQKMLDL-UHFFFAOYSA-N
Mol Weight 313.25 g/mol
Molecular Formula C14H14Cl2N2S
Exact Mass 312.025475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cb6yHVxRUX9
Name 2-Butyl-6,7-dichloro-4-(methylthio)-1H-indole-5-carbonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14Cl2N2S
InChI InChI=1S/C14H14Cl2N2S/c1-3-4-5-8-6-9-13(18-8)12(16)11(15)10(7-17)14(9)19-2/h6,18H,3-5H2,1-2H3
InChIKey FMAULWSSQKMLDL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol7025872
Molecular Weight 313.246 g/mol
SMILES [nH]1c(cc2c1c(c(c(c2SC)C#N)Cl)Cl)CCCC
SPLASH splash10-0229-0094000000-a0f61fdd275ef6c4296d
Source of Spectrum A1-10-113/SM22-1l
Wiley ID 1758922