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1H-Indole, 2-[(1,1-dimethylethyl)thio]-3-phenyl-
SpectraBase Compound ID 96uBSbYiSXQ
InChI InChI=1S/C18H19NS/c1-18(2,3)20-17-16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)19-17/h4-12,19H,1-3H3
InChIKey ULQYGZTYKXJKCL-UHFFFAOYSA-N
Mol Weight 281.42 g/mol
Molecular Formula C18H19NS
Exact Mass 281.123821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbNVuhsjGsd
Name 1H-Indole, 2-[(1,1-dimethylethyl)thio]-3-phenyl-
CAS Registry Number 131589-86-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NS
InChI InChI=1S/C18H19NS/c1-18(2,3)20-17-16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)19-17/h4-12,19H,1-3H3
InChIKey ULQYGZTYKXJKCL-UHFFFAOYSA-N
Molecular Weight 281.417 g/mol
SMILES [nH]1c2ccccc2c(c1SC(C)(C)C)-c1ccccc1
SPLASH splash10-004i-1190000000-1870da15d195b4933b17
Source of Spectrum J-56-669-6
Synonyms 2-(t-butylthio)-3-phenylindole 2-(tert-butylsulfanyl)-3-phenyl-1H-indole tert-Butyl 3-phenyl-1H-indol-2-yl sulfide
Wiley ID 1285097