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3-(Trifluoromethoxy)thiophenol, S-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

3-(Trifluoromethoxy)thiophenol, S-heptafluorobutyryl-
SpectraBase Compound ID AzP1K11olo0
InChI InChI=1S/C11H4F10O2S/c12-8(13,9(14,15)10(16,17)18)7(22)24-6-3-1-2-5(4-6)23-11(19,20)21/h1-4H
InChIKey BPCONNQTAALIJL-UHFFFAOYSA-N
Mol Weight 390.2 g/mol
Molecular Formula C11H4F10O2S
Exact Mass 389.977232 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ak5wNY7HAPg
Name 3-(Trifluoromethoxy)thiophenol, S-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.977232171 u
Formula C11H4F10O2S
InChI InChI=1S/C11H4F10O2S/c12-8(13,9(14,15)10(16,17)18)7(22)24-6-3-1-2-5(4-6)23-11(19,20)21/h1-4H
InChIKey BPCONNQTAALIJL-UHFFFAOYSA-N
Molecular Weight 390.195 g/mol
SMILES C(OC1=CC(SC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC=C1)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948821