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

*Links on SpectraBase are not permalinks.

4-Fluorobenzyl mercaptan, S-pentafluoropropionyl-

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

4-Fluorobenzyl mercaptan, S-pentafluoropropionyl-
SpectraBase Compound ID 6w7x2BSlXyN
InChI InChI=1S/C10H6F6OS/c11-7-3-1-6(2-4-7)5-18-8(17)9(12,13)10(14,15)16/h1-4H,5H2
InChIKey MZYMZCDRJBWFHO-UHFFFAOYSA-N
Mol Weight 288.21 g/mol
Molecular Formula C10H6F6OS
Exact Mass 288.004355 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 HHoMbQJCbx1
Name 4-Fluorobenzyl mercaptan, S-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.004354964 u
Formula C10H6F6OS
InChI InChI=1S/C10H6F6OS/c11-7-3-1-6(2-4-7)5-18-8(17)9(12,13)10(14,15)16/h1-4H,5H2
InChIKey MZYMZCDRJBWFHO-UHFFFAOYSA-N
Molecular Weight 288.207 g/mol
SMILES C1(F)=CC=C(C=C1)CSC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960175