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

*Links on SpectraBase are not permalinks.

11,12-bis(Methylthio)hexadecanal

View entire compound with spectra: 1 NMR, and 1 FTIR

11,12-bis(Methylthio)hexadecanal
SpectraBase Compound ID CN7Kh9bgIhF
InChI InChI=1S/C18H36OS2/c1-4-5-14-17(20-2)18(21-3)15-12-10-8-6-7-9-11-13-16-19/h16-18H,4-15H2,1-3H3
InChIKey QVOHRMUUSUFNDR-UHFFFAOYSA-N
Mol Weight 332.6 g/mol
Molecular Formula C18H36OS2
Exact Mass 332.220758 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 LOwE2zL2xPf
Name 11,12-bis(Methylthio)hexadecanal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.220758126 u
Formula C18H36OS2
InChI InChI=1S/C18H36OS2/c1-4-5-14-17(20-2)18(21-3)15-12-10-8-6-7-9-11-13-16-19/h16-18H,4-15H2,1-3H3
InChIKey QVOHRMUUSUFNDR-UHFFFAOYSA-N
Molecular Weight 332.605 g/mol
SMILES CCCCC(C(CCCCCCCCCC=O)SC)SC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.836877