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3-(Phenylthio)-1H-indole
SpectraBase Compound ID Czs254AZP8i
InChI InChI=1S/C14H11NS/c1-2-6-11(7-3-1)16-14-10-15-13-9-5-4-8-12(13)14/h1-10,15H
InChIKey VHEGBLPHXSCODD-UHFFFAOYSA-N
Mol Weight 225.31 g/mol
Molecular Formula C14H11NS
Exact Mass 225.061221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79ertpb7Ad9
Name 3-(Phenylthio)-1H-indole
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11NS
InChI InChI=1S/C14H11NS/c1-2-6-11(7-3-1)16-14-10-15-13-9-5-4-8-12(13)14/h1-10,15H
InChIKey VHEGBLPHXSCODD-UHFFFAOYSA-N
Instrument Name Agilent Technologies GC/MS-5973N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000425
Molecular Weight 225.309 g/mol
SMILES [nH]1cc(c2ccccc12)Sc1ccccc1
SPLASH splash10-00b9-0190000000-3b06a78d4b539ea3751d
Source of Spectrum U1-2020-SM7-6d
Thin-Layer Chromatography Rf = 0.20 (hexane/ethyl acetate, 4:1)
Wiley ID 1860662