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2H-Isoindole, 4,5,6,7-tetrahydro-1-(methylthio)-3-phenyl-
SpectraBase Compound ID GOFq9XB8Oio
InChI InChI=1S/C15H17NS/c1-17-15-13-10-6-5-9-12(13)14(16-15)11-7-3-2-4-8-11/h2-4,7-8,16H,5-6,9-10H2,1H3
InChIKey ZUPJYETUONMMRI-UHFFFAOYSA-N
Mol Weight 243.37 g/mol
Molecular Formula C15H17NS
Exact Mass 243.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ah8vSyxd8r9
Name 2H-Isoindole, 4,5,6,7-tetrahydro-1-(methylthio)-3-phenyl-
CAS Registry Number 132058-91-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NS
InChI InChI=1S/C15H17NS/c1-17-15-13-10-6-5-9-12(13)14(16-15)11-7-3-2-4-8-11/h2-4,7-8,16H,5-6,9-10H2,1H3
InChIKey ZUPJYETUONMMRI-UHFFFAOYSA-N
Molecular Weight 243.368 g/mol
SMILES [nH]1c(c2CCCCc2c1-c1ccccc1)SC
SPLASH splash10-0006-0090000000-df9a3a1328aac94423a1
Source of Spectrum F-46-6780-13
Synonyms 1-(methylsulfanyl)-3-phenyl-4,5,6,7-tetrahydro-2H-isoindole 1-(methylthio)-3-phenyl-4,5,6,7-tetrahydroiosindole methyl 3-phenyl-4,5,6,7-tetrahydro-2H-isoindol-1-yl sulfide
Wiley ID 1246221