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

*Links on SpectraBase are not permalinks.

3,4-Dichlorothiophenol, S-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

3,4-Dichlorothiophenol, S-heptafluorobutyryl-
SpectraBase Compound ID Bp8AgcheaDG
InChI InChI=1S/C10H3Cl2F7OS/c11-5-2-1-4(3-6(5)12)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
InChIKey KEMBSVCAGMLMOO-UHFFFAOYSA-N
Mol Weight 375.09 g/mol
Molecular Formula C10H3Cl2F7OS
Exact Mass 373.916988 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 7bu1qMo6Lby
Name 3,4-Dichlorothiophenol, S-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.916988431 u
Formula C10H3Cl2F7OS
InChI InChI=1S/C10H3Cl2F7OS/c11-5-2-1-4(3-6(5)12)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
InChIKey KEMBSVCAGMLMOO-UHFFFAOYSA-N
Molecular Weight 375.088 g/mol
SMILES C1(SC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC(=C(C=C1)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932344