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2-Chlorothiophenol, S-pentafluoropropionyl-

View entire compound with spectra: 1 FTIR

2-Chlorothiophenol, S-pentafluoropropionyl-
SpectraBase Compound ID IJWC5krcrXs
InChI InChI=1S/C9H4ClF5OS/c10-5-3-1-2-4-6(5)17-7(16)8(11,12)9(13,14)15/h1-4H
InChIKey QOICAOFTOUQYAG-UHFFFAOYSA-N
Mol Weight 290.64 g/mol
Molecular Formula C9H4ClF5OS
Exact Mass 289.959154 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 79jMmt6lsc4
Name 2-Chlorothiophenol, S-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.959154437 u
Formula C9H4ClF5OS
InChI InChI=1S/C9H4ClF5OS/c10-5-3-1-2-4-6(5)17-7(16)8(11,12)9(13,14)15/h1-4H
InChIKey QOICAOFTOUQYAG-UHFFFAOYSA-N
Molecular Weight 290.635 g/mol
SMILES C1(SC(C(C(F)(F)F)(F)F)=O)=C(C=CC=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958054