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3-Fluorothiophenol, S-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

3-Fluorothiophenol, S-heptafluorobutyryl-
SpectraBase Compound ID AGsv2OwUBul
InChI InChI=1S/C10H4F8OS/c11-5-2-1-3-6(4-5)20-7(19)8(12,13)9(14,15)10(16,17)18/h1-4H
InChIKey LWJWRNMRRCSWAV-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 473EyjJiWZ1
Name 3-Fluorothiophenol, S-heptafluorobutyryl-
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/c11-5-2-1-3-6(4-5)20-7(19)8(12,13)9(14,15)10(16,17)18/h1-4H
InChIKey LWJWRNMRRCSWAV-UHFFFAOYSA-N
Molecular Weight 324.188 g/mol
SMILES C1(F)=CC(=CC=C1)SC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945442