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

*Links on SpectraBase are not permalinks.
5-Hexen-2-one, 3-methyl-1-(phenylthio)-
SpectraBase Compound ID B5VsM85DJt3
InChI InChI=1S/C13H16OS/c1-3-7-11(2)13(14)10-15-12-8-5-4-6-9-12/h3-6,8-9,11H,1,7,10H2,2H3
InChIKey QLQYARHKMQGWMG-UHFFFAOYSA-N
Mol Weight 220.33 g/mol
Molecular Formula C13H16OS
Exact Mass 220.092186 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 2rvl87cCr9b
Name 5-Hexen-2-one, 3-methyl-1-(phenylthio)-
Alternate Name(s) 3-Methyl-1-(phenylsulfanyl)-5-hexen-2-one 3-Methyl-1-phenylthio-5-hexen-2-one
CAS Registry Number 66032-94-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-3-7-11(2)13(14)10-15-12-8-5-4-6-9-12/h3-6,8-9,11H,1,7,10H2,2H3
InChIKey QLQYARHKMQGWMG-UHFFFAOYSA-N
Molecular Weight 220.330 g/mol
SMILES C(CSc1ccccc1)(=O)C(CC=C)C
SPLASH splash10-0002-9110000000-d593edba0f8c7e542264
Source of Spectrum H-61-88-0
Wiley ID 1219820