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1-Propanethiol, 3-[[(4-methylphenyl)methyl]thio]-
SpectraBase Compound ID 4LGgeLGgHju
InChI InChI=1S/C11H16S2/c1-10-3-5-11(6-4-10)9-13-8-2-7-12/h3-6,12H,2,7-9H2,1H3
InChIKey SUODLSYTTMNQOI-UHFFFAOYSA-N
Mol Weight 212.37 g/mol
Molecular Formula C11H16S2
Exact Mass 212.069343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AraBrBlYwA
Name 1-Propanethiol, 3-[[(4-methylphenyl)methyl]thio]-
Alternate Name(s) 1,4-Dimethyl-2-(3-mercaptoprpylthio)benzene 3-Mercaptopropyl 4-methylbenzyl thioether
CAS Registry Number 129589-77-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16S2
InChI InChI=1S/C11H16S2/c1-10-3-5-11(6-4-10)9-13-8-2-7-12/h3-6,12H,2,7-9H2,1H3
InChIKey SUODLSYTTMNQOI-UHFFFAOYSA-N
Molecular Weight 212.369 g/mol
SMILES SCCCSCc1ccc(cc1)C
SPLASH splash10-0a6s-9500000000-e3ffb6f6b3b969f61688
Source of Spectrum F-46-2078-18
Wiley ID 1211290