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

View entire compound with spectra: 1 FTIR

3-Mercaptophenol, S,o-bis(pentafluoropropionyl)-
SpectraBase Compound ID 1CFzKaGvhjp
InChI InChI=1S/C12H4F10O3S/c13-9(14,11(17,18)19)7(23)25-5-2-1-3-6(4-5)26-8(24)10(15,16)12(20,21)22/h1-4H
InChIKey ZSUASBUMJQYXPD-UHFFFAOYSA-N
Mol Weight 418.21 g/mol
Molecular Formula C12H4F10O3S
Exact Mass 417.972147 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2RunGY6q8CN
Name 3-Mercaptophenol, S,o-bis(pentafluoropropionyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.972146790 u
Formula C12H4F10O3S
InChI InChI=1S/C12H4F10O3S/c13-9(14,11(17,18)19)7(23)25-5-2-1-3-6(4-5)26-8(24)10(15,16)12(20,21)22/h1-4H
InChIKey ZSUASBUMJQYXPD-UHFFFAOYSA-N
Molecular Weight 418.205 g/mol
SMILES C1=C(C=CC=C1OC(C(C(F)(F)F)(F)F)=O)SC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830284