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

*Links on SpectraBase are not permalinks.
Methyl p-(3-hydroxybutyl)benzyl sulfoxide
SpectraBase Compound ID 7nkH2ZbV8xW
InChI InChI=1S/C12H18O2S/c1-10(13)3-4-11-5-7-12(8-6-11)9-15(2)14/h5-8,10,13H,3-4,9H2,1-2H3
InChIKey NPUCXTRUNCSDAQ-UHFFFAOYSA-N
Mol Weight 226.33 g/mol
Molecular Formula C12H18O2S
Exact Mass 226.102751 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 B1jVpBfUtF2
Name Methyl p-(3-hydroxybutyl)benzyl sulfoxide
Alternate Name(s) 4-{4-[(methylsulfinyl)methyl]phenyl}-2-butanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2S
InChI InChI=1S/C12H18O2S/c1-10(13)3-4-11-5-7-12(8-6-11)9-15(2)14/h5-8,10,13H,3-4,9H2,1-2H3
InChIKey NPUCXTRUNCSDAQ-UHFFFAOYSA-N
Molecular Weight 226.334 g/mol
SMILES OC(CCc1ccc(CS(=O)C)cc1)C
SPLASH splash10-03di-1900000000-2ba8cec4df3031a5b4c9
Source of Spectrum QC-5-1246-4
Wiley ID 883664