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Hexyl p-Tolyl Sulfide

View entire compound with spectra: 1 MS (GC)

Hexyl p-Tolyl Sulfide
SpectraBase Compound ID IEe1ARu8668
InChI InChI=1S/C13H20S/c1-3-4-5-6-11-14-13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3
InChIKey UDVNNGADKKZXFY-UHFFFAOYSA-N
Mol Weight 208.36 g/mol
Molecular Formula C13H20S
Exact Mass 208.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtMC5CTam5t
Name Hexyl p-Tolyl Sulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20S
InChI InChI=1S/C13H20S/c1-3-4-5-6-11-14-13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3
InChIKey UDVNNGADKKZXFY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo2007253
Molecular Weight 208.363 g/mol
SMILES c1c(SCCCCCC)ccc(c1)C
SPLASH splash10-0ai0-2960000000-e9656568953292f52af8
Source of Spectrum J-76-4374-3da
Synonyms Hexyl(p-tolyl)sulfane 1-(hexylthio)-4-methylbenzene 1-Hexylsulfanyl-4-methylbenzene 1-Hexylsulfanyl-4-methyl-benzene
Wiley ID 1744860