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

*Links on SpectraBase are not permalinks.

6-Hydroxy-1,3-benzoxathiol-2-one, pentafluoropropionate

View entire compound with spectra: 1 FTIR

6-Hydroxy-1,3-benzoxathiol-2-one, pentafluoropropionate
SpectraBase Compound ID 1PQ5LXQI6m5
InChI InChI=1S/C10H3F5O4S/c11-9(12,10(13,14)15)7(16)18-4-1-2-6-5(3-4)19-8(17)20-6/h1-3H
InChIKey DYMHIOOBXJHHMS-UHFFFAOYSA-N
Mol Weight 314.18 g/mol
Molecular Formula C10H3F5O4S
Exact Mass 313.967221 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LHAssXVBg9n
Name 6-Hydroxy-1,3-benzoxathiol-2-one, pentafluoropropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.967220562 u
Formula C10H3F5O4S
InChI InChI=1S/C10H3F5O4S/c11-9(12,10(13,14)15)7(16)18-4-1-2-6-5(3-4)19-8(17)20-6/h1-3H
InChIKey DYMHIOOBXJHHMS-UHFFFAOYSA-N
Molecular Weight 314.182 g/mol
SMILES C1(=O)SC2=CC=C(C=C2O1)OC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901303