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2-[1-(4-Methylphenyl)propyl]benzenethiol
SpectraBase Compound ID 3DFOJslc5Q9
InChI InChI=1S/C16H18S/c1-3-14(13-10-8-12(2)9-11-13)15-6-4-5-7-16(15)17/h4-11,14,17H,3H2,1-2H3
InChIKey CFQKTUSGSOZKJB-UHFFFAOYSA-N
Mol Weight 242.38 g/mol
Molecular Formula C16H18S
Exact Mass 242.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qxYJa0Icpw
Name 2-[1-(4-Methylphenyl)propyl]benzenethiol
CAS Registry Number 113386-35-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18S
InChI InChI=1S/C16H18S/c1-3-14(13-10-8-12(2)9-11-13)15-6-4-5-7-16(15)17/h4-11,14,17H,3H2,1-2H3
InChIKey CFQKTUSGSOZKJB-UHFFFAOYSA-N
Molecular Weight 242.380 g/mol
SMILES Sc1c(C(c2ccc(cc2)C)CC)cccc1
SPLASH splash10-03di-0090000000-48303ecf93b5fc3880f8
Source of Spectrum Y-24-1212-14
Synonyms 2-[1-(p-tolyl)propyl]benzenethiol
Wiley ID 1245581