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4-(Trifluoromethyl)thiophenol, S-pentafluoropropionyl-

View entire compound with spectra: 1 FTIR

4-(Trifluoromethyl)thiophenol, S-pentafluoropropionyl-
SpectraBase Compound ID JFoyK2NTgh4
InChI InChI=1S/C10H4F8OS/c11-8(12,10(16,17)18)7(19)20-6-3-1-5(2-4-6)9(13,14)15/h1-4H
InChIKey LKLQLQBHWXGWLV-UHFFFAOYSA-N
Mol Weight 324.19 g/mol
Molecular Formula C10H4F8OS
Exact Mass 323.985511 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cg3rwUPvOlc
Name 4-(Trifluoromethyl)thiophenol, S-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.985511226 u
Formula C10H4F8OS
InChI InChI=1S/C10H4F8OS/c11-8(12,10(16,17)18)7(19)20-6-3-1-5(2-4-6)9(13,14)15/h1-4H
InChIKey LKLQLQBHWXGWLV-UHFFFAOYSA-N
Molecular Weight 324.188 g/mol
SMILES C(F)(F)(F)C1=CC=C(C=C1)SC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840055