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3-Chlorothiophenol, S-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

3-Chlorothiophenol, S-heptafluorobutyryl-
SpectraBase Compound ID 8AhPjIdKZR5
InChI InChI=1S/C10H4ClF7OS/c11-5-2-1-3-6(4-5)20-7(19)8(12,13)9(14,15)10(16,17)18/h1-4H
InChIKey RDXNTCFKLRZGSS-UHFFFAOYSA-N
Mol Weight 340.64 g/mol
Molecular Formula C10H4ClF7OS
Exact Mass 339.955961 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IBTVv6IczMe
Name 3-Chlorothiophenol, S-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.955960763 u
Formula C10H4ClF7OS
InChI InChI=1S/C10H4ClF7OS/c11-5-2-1-3-6(4-5)20-7(19)8(12,13)9(14,15)10(16,17)18/h1-4H
InChIKey RDXNTCFKLRZGSS-UHFFFAOYSA-N
Molecular Weight 340.643 g/mol
SMILES C1(SC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC(=CC=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949912