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1-(3,3-dimethyl-4-phenylsulfanyl-butyl)-2-phenylsulfanyl-indole
SpectraBase Compound ID H8oE5quH45P
InChI InChI=1S/C26H27NS2/c1-26(2,20-28-22-12-5-3-6-13-22)17-18-27-24-16-10-9-11-21(24)19-25(27)29-23-14-7-4-8-15-23/h3-16,19H,17-18,20H2,1-2H3
InChIKey IJOFCCPIMRFASS-UHFFFAOYSA-N
Mol Weight 417.63 g/mol
Molecular Formula C26H27NS2
Exact Mass 417.158492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZjv3sXJmoz
Name 1-(3,3-dimethyl-4-phenylsulfanyl-butyl)-2-phenylsulfanyl-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27NS2
InChI InChI=1S/C26H27NS2/c1-26(2,20-28-22-12-5-3-6-13-22)17-18-27-24-16-10-9-11-21(24)19-25(27)29-23-14-7-4-8-15-23/h3-16,19H,17-18,20H2,1-2H3
InChIKey IJOFCCPIMRFASS-UHFFFAOYSA-N
Molecular Weight 417.629 g/mol
SMILES c1([n](c2ccccc2c1)CCC(CSc1ccccc1)(C)C)Sc1ccccc1
SPLASH splash10-00r6-1910400000-646d623386af71cb345d
Source of Spectrum KC-0-3595-4
Synonyms 1-[3,3-dimethyl-4-(phenylthio)butyl]-2-(phenylthio)indole
Wiley ID 824031