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4-(Trifluoromethyl)thiophenol, S-trifluoroacetyl-

View entire compound with spectra: 1 FTIR

4-(Trifluoromethyl)thiophenol, S-trifluoroacetyl-
SpectraBase Compound ID 4o2JFVb8Ln4
InChI InChI=1S/C9H4F6OS/c10-8(11,12)5-1-3-6(4-2-5)17-7(16)9(13,14)15/h1-4H
InChIKey HNIRBHAYZLILCY-UHFFFAOYSA-N
Mol Weight 274.18 g/mol
Molecular Formula C9H4F6OS
Exact Mass 273.988705 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JkKTNgVB1yp
Name 4-(Trifluoromethyl)thiophenol, S-trifluoroacetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 273.988704900 u
Formula C9H4F6OS
InChI InChI=1S/C9H4F6OS/c10-8(11,12)5-1-3-6(4-2-5)17-7(16)9(13,14)15/h1-4H
InChIKey HNIRBHAYZLILCY-UHFFFAOYSA-N
Molecular Weight 274.180 g/mol
SMILES C(F)(F)(F)C1=CC=C(C=C1)SC(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941631