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

*Links on SpectraBase are not permalinks.
2-Methyl-3-[(Z)-2-(phenylthio)-1-octenyl]-2-cyclohexenone
SpectraBase Compound ID HBo5MnBtHKO
InChI InChI=1S/C21H28OS/c1-3-4-5-7-14-20(23-19-12-8-6-9-13-19)16-18-11-10-15-21(22)17(18)2/h6,8-9,12-13,16H,3-5,7,10-11,14-15H2,1-2H3/b20-16-
InChIKey WWWCXJIXVXSCGM-SILNSSARSA-N
Mol Weight 328.51 g/mol
Molecular Formula C21H28OS
Exact Mass 328.186087 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 LR8rTWqxjn8
Name 2-Methyl-3-[(Z)-2-(phenylthio)-1-octenyl]-2-cyclohexenone
Alternate Name(s) 2-Methyl-3-[(1Z)-2-(phenylsulfanyl)-1-octenyl]-2-cyclohexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28OS
InChI InChI=1S/C21H28OS/c1-3-4-5-7-14-20(23-19-12-8-6-9-13-19)16-18-11-10-15-21(22)17(18)2/h6,8-9,12-13,16H,3-5,7,10-11,14-15H2,1-2H3/b20-16-
InChIKey WWWCXJIXVXSCGM-SILNSSARSA-N
Molecular Weight 328.514 g/mol
SMILES C1(=C(C(=O)CCC1)C)\C=C\(Sc1ccccc1)CCCCCC
SPLASH splash10-0f96-9141000000-492bf098401e7faf9c9f
Source of Spectrum C-115-7225-3
Wiley ID 1326648