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(Hexylthio)benzene
SpectraBase Compound ID 3gmcsReFCqt
InChI InChI=1S/C12H18S/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChIKey DOHLZBMKORLTKE-UHFFFAOYSA-N
Mol Weight 194.34 g/mol
Molecular Formula C12H18S
Exact Mass 194.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8skNsWAEgHO
Name (Hexylthio)benzene
CAS Registry Number 943-78-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18S
InChI InChI=1S/C12H18S/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChIKey DOHLZBMKORLTKE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo2007253
Molecular Weight 194.336 g/mol
SMILES c1ccccc1SCCCCCC
SPLASH splash10-03dl-1900000000-9076b4defae9cd45538c
Source of Spectrum J-76-4374-3di
Synonyms n-Hexyl Phenyl Sulfide Hexyl(phenyl)sulfane Hexylsulfanylbenzene
Wiley ID 1744862