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5-Chloro-2-methylthiophenol, S-pentafluoropropionyl-

View entire compound with spectra: 1 FTIR

5-Chloro-2-methylthiophenol, S-pentafluoropropionyl-
SpectraBase Compound ID 7lw7Je57Smh
InChI InChI=1S/C10H6ClF5OS/c1-5-2-3-6(11)4-7(5)18-8(17)9(12,13)10(14,15)16/h2-4H,1H3
InChIKey FOXGXVABJWJFBZ-UHFFFAOYSA-N
Mol Weight 304.66 g/mol
Molecular Formula C10H6ClF5OS
Exact Mass 303.974805 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FlseDa2fHBb
Name 5-Chloro-2-methylthiophenol, S-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.974804501 u
Formula C10H6ClF5OS
InChI InChI=1S/C10H6ClF5OS/c1-5-2-3-6(11)4-7(5)18-8(17)9(12,13)10(14,15)16/h2-4H,1H3
InChIKey FOXGXVABJWJFBZ-UHFFFAOYSA-N
Molecular Weight 304.662 g/mol
SMILES C1(SC(C(C(F)(F)F)(F)F)=O)=C(C=CC(=C1)Cl)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872226