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

*Links on SpectraBase are not permalinks.

3-Mercaptophenol, S,o-bis(heptafluorobutyryl)-

View entire compound with spectra: 1 FTIR

3-Mercaptophenol, S,o-bis(heptafluorobutyryl)-
SpectraBase Compound ID ITqXHHLa0oQ
InChI InChI=1S/C14H4F14O3S/c15-9(16,11(19,20)13(23,24)25)7(29)31-5-2-1-3-6(4-5)32-8(30)10(17,18)12(21,22)14(26,27)28/h1-4H
InChIKey FAVFRAFXSICKST-UHFFFAOYSA-N
Mol Weight 518.22 g/mol
Molecular Formula C14H4F14O3S
Exact Mass 517.965759 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 3m4p1Y94maA
Name 3-Mercaptophenol, S,o-bis(heptafluorobutyryl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 517.965759442 u
Formula C14H4F14O3S
InChI InChI=1S/C14H4F14O3S/c15-9(16,11(19,20)13(23,24)25)7(29)31-5-2-1-3-6(4-5)32-8(30)10(17,18)12(21,22)14(26,27)28/h1-4H
InChIKey FAVFRAFXSICKST-UHFFFAOYSA-N
Molecular Weight 518.221 g/mol
SMILES C1=C(C=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)SC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876185