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3,5-Difluorothiophenol, S-heptafluorobutyryl-

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3,5-Difluorothiophenol, S-heptafluorobutyryl-
SpectraBase Compound ID 538njkSUuIG
InChI InChI=1S/C10H3F9OS/c11-4-1-5(12)3-6(2-4)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
InChIKey AAKVBEAEOHPCAV-UHFFFAOYSA-N
Mol Weight 342.18 g/mol
Molecular Formula C10H3F9OS
Exact Mass 341.976089 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KCyHZYLYIsz
Name 3,5-Difluorothiophenol, S-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.976089357 u
Formula C10H3F9OS
InChI InChI=1S/C10H3F9OS/c11-4-1-5(12)3-6(2-4)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
InChIKey AAKVBEAEOHPCAV-UHFFFAOYSA-N
Molecular Weight 342.179 g/mol
SMILES C1(F)=CC(=CC(=C1)SC(=O)C(C(C(F)(F)F)(F)F)(F)F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942572