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4-(Trifluoromethyl)thiophenol, S-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

4-(Trifluoromethyl)thiophenol, S-heptafluorobutyryl-
SpectraBase Compound ID 6Vkimwt5BsU
InChI InChI=1S/C11H4F10OS/c12-8(13,10(17,18)11(19,20)21)7(22)23-6-3-1-5(2-4-6)9(14,15)16/h1-4H
InChIKey NRZQHDHOZXDJCX-UHFFFAOYSA-N
Mol Weight 374.2 g/mol
Molecular Formula C11H4F10OS
Exact Mass 373.982318 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3rbmSYZdgUJ
Name 4-(Trifluoromethyl)thiophenol, S-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.982317552 u
Formula C11H4F10OS
InChI InChI=1S/C11H4F10OS/c12-8(13,10(17,18)11(19,20)21)7(22)23-6-3-1-5(2-4-6)9(14,15)16/h1-4H
InChIKey NRZQHDHOZXDJCX-UHFFFAOYSA-N
Molecular Weight 374.196 g/mol
SMILES C(F)(F)(F)C1=CC=C(C=C1)SC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952436