For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(methylthio)methanethioic acid O-(1-benzylbutyl) ester
SpectraBase Compound ID BS67xssF5uF
InChI InChI=1S/C13H18OS2/c1-3-7-12(14-13(15)16-2)10-11-8-5-4-6-9-11/h4-6,8-9,12H,3,7,10H2,1-2H3
InChIKey KVHBRBZMIVENFE-UHFFFAOYSA-N
Mol Weight 254.41 g/mol
Molecular Formula C13H18OS2
Exact Mass 254.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 25p8R8GCe0
Name (methylthio)methanethioic acid O-(1-benzylbutyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18OS2
InChI InChI=1S/C13H18OS2/c1-3-7-12(14-13(15)16-2)10-11-8-5-4-6-9-11/h4-6,8-9,12H,3,7,10H2,1-2H3
InChIKey KVHBRBZMIVENFE-UHFFFAOYSA-N
Molecular Weight 254.406 g/mol
SMILES C(=S)(OC(Cc1ccccc1)CCC)SC
SPLASH splash10-00kg-7900000000-f6ab70b7209892a54cfd
Source of Spectrum AJ-73-477-2
Synonyms (methylthio)methanethioic acid O-(1-phenylpentan-2-yl) ester O-(1-benzylbutyl) methylsulfanylmethanethioate O-(1-phenylpentan-2-yl) methylsulfanylmethanethioate
Wiley ID 775302