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

*Links on SpectraBase are not permalinks.

2-Chloro-6-methylthiophenol, S-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

2-Chloro-6-methylthiophenol, S-heptafluorobutyryl-
SpectraBase Compound ID 8Nox9ofUvB1
InChI InChI=1S/C11H6ClF7OS/c1-5-3-2-4-6(12)7(5)21-8(20)9(13,14)10(15,16)11(17,18)19/h2-4H,1H3
InChIKey VGZRMTWKVHKKGS-UHFFFAOYSA-N
Mol Weight 354.67 g/mol
Molecular Formula C11H6ClF7OS
Exact Mass 353.971611 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 8ew8kWrW0ps
Name 2-Chloro-6-methylthiophenol, S-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.971610827 u
Formula C11H6ClF7OS
InChI InChI=1S/C11H6ClF7OS/c1-5-3-2-4-6(12)7(5)21-8(20)9(13,14)10(15,16)11(17,18)19/h2-4H,1H3
InChIKey VGZRMTWKVHKKGS-UHFFFAOYSA-N
Molecular Weight 354.670 g/mol
SMILES C1(SC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=CC=C1C)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941428