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

*Links on SpectraBase are not permalinks.

3,4-Dimethylthiophenol, S-pentafluoropropionyl-

View entire compound with spectra: 1 FTIR

3,4-Dimethylthiophenol, S-pentafluoropropionyl-
SpectraBase Compound ID 5qRZOmTNyXh
InChI InChI=1S/C11H9F5OS/c1-6-3-4-8(5-7(6)2)18-9(17)10(12,13)11(14,15)16/h3-5H,1-2H3
InChIKey INBXSRJHJPTNOP-UHFFFAOYSA-N
Mol Weight 284.24 g/mol
Molecular Formula C11H9F5OS
Exact Mass 284.029427 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 LxaAVpVAojM
Name 3,4-Dimethylthiophenol, S-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.029426898 u
Formula C11H9F5OS
InChI InChI=1S/C11H9F5OS/c1-6-3-4-8(5-7(6)2)18-9(17)10(12,13)11(14,15)16/h3-5H,1-2H3
InChIKey INBXSRJHJPTNOP-UHFFFAOYSA-N
Molecular Weight 284.244 g/mol
SMILES C1(SC(C(C(F)(F)F)(F)F)=O)=CC(=C(C=C1)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.816785