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5-Chloro-2-methylthiophenol, S-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

5-Chloro-2-methylthiophenol, S-heptafluorobutyryl-
SpectraBase Compound ID 1KkC4TS4TdQ
InChI InChI=1S/C11H6ClF7OS/c1-5-2-3-6(12)4-7(5)21-8(20)9(13,14)10(15,16)11(17,18)19/h2-4H,1H3
InChIKey GFEVWMNBAIZIFL-UHFFFAOYSA-N
Mol Weight 354.67 g/mol
Molecular Formula C11H6ClF7OS
Exact Mass 353.971611 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JRjLHcz0prb
Name 5-Chloro-2-methylthiophenol, S-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.971610827 u
Formula C11H6ClF7OS
InChI InChI=1S/C11H6ClF7OS/c1-5-2-3-6(12)4-7(5)21-8(20)9(13,14)10(15,16)11(17,18)19/h2-4H,1H3
InChIKey GFEVWMNBAIZIFL-UHFFFAOYSA-N
Molecular Weight 354.670 g/mol
SMILES C1(SC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=CC(=C1)Cl)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934614