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3-Chloro-4-fluorothiophenol, S-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

3-Chloro-4-fluorothiophenol, S-heptafluorobutyryl-
SpectraBase Compound ID 58clODfcOmV
InChI InChI=1S/C10H3ClF8OS/c11-5-3-4(1-2-6(5)12)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
InChIKey QMLXBCLIMZBGLC-UHFFFAOYSA-N
Mol Weight 358.63 g/mol
Molecular Formula C10H3ClF8OS
Exact Mass 357.946539 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lq6W40qMkm2
Name 3-Chloro-4-fluorothiophenol, S-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.946538894 u
Formula C10H3ClF8OS
InChI InChI=1S/C10H3ClF8OS/c11-5-3-4(1-2-6(5)12)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
InChIKey QMLXBCLIMZBGLC-UHFFFAOYSA-N
Molecular Weight 358.633 g/mol
SMILES C1(F)=C(C=C(C=C1)SC(=O)C(C(C(F)(F)F)(F)F)(F)F)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945109