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2-Butyl-4-chloro-3-(phenylthio)-1H-indole
SpectraBase Compound ID EV90fC4dksF
InChI InChI=1S/C18H18ClNS/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 RCMMWDVXCAFEEC-UHFFFAOYSA-N
Mol Weight 315.86 g/mol
Molecular Formula C18H18ClNS
Exact Mass 315.084848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38hqqOUhTDu
Name 2-Butyl-4-chloro-3-(phenylthio)-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClNS
InChI InChI=1S/C18H18ClNS/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 RCMMWDVXCAFEEC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo200406f
Molecular Weight 315.862 g/mol
SMILES [nH]1c(c(c2c1cccc2Cl)Sc1ccccc1)CCCC
SPLASH splash10-02ti-3697000000-bdce37c5c2bd65093e64
Source of Spectrum J-76-3435-27c
Synonyms 2-Butyl-4-chloro-3-phenylsulfanyl-1H-indole 2-Butyl-4-chloranyl-3-phenylsulfanyl-1H-indole
Wiley ID 1744799