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

*Links on SpectraBase are not permalinks.
4-(Cyclohexylidenemethyl)-1-(methylthio)decan-3-one
SpectraBase Compound ID 9bIJeL7vdHg
InChI InChI=1S/C18H32OS/c1-3-4-5-9-12-17(18(19)13-14-20-2)15-16-10-7-6-8-11-16/h15,17H,3-14H2,1-2H3
InChIKey JKLJINIIUIFWSY-UHFFFAOYSA-N
Mol Weight 296.5 g/mol
Molecular Formula C18H32OS
Exact Mass 296.217387 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID K0TMQdh0u0r
Name 4-(Cyclohexylidenemethyl)-1-(methylthio)decan-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.217386823 u
Formula C18H32OS
InChI InChI=1S/C18H32OS/c1-3-4-5-9-12-17(18(19)13-14-20-2)15-16-10-7-6-8-11-16/h15,17H,3-14H2,1-2H3
InChIKey JKLJINIIUIFWSY-UHFFFAOYSA-N
SMILES C(C(C(=O)CCSC)CCCCCC)=C1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909039