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4-(Methylsulfanyl)thiophenol, S-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

4-(Methylsulfanyl)thiophenol, S-heptafluorobutyryl-
SpectraBase Compound ID JbVEZ6VwOfg
InChI InChI=1S/C11H7F7OS2/c1-20-6-2-4-7(5-3-6)21-8(19)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3
InChIKey FDNGRTNPODVZLK-UHFFFAOYSA-N
Mol Weight 352.28 g/mol
Molecular Formula C11H7F7OS2
Exact Mass 351.982654 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CtjLiDVkJ9d
Name 4-(Methylsulfanyl)thiophenol, S-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.982654333 u
Formula C11H7F7OS2
InChI InChI=1S/C11H7F7OS2/c1-20-6-2-4-7(5-3-6)21-8(19)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3
InChIKey FDNGRTNPODVZLK-UHFFFAOYSA-N
Molecular Weight 352.285 g/mol
SMILES CSC1=CC=C(C=C1)SC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939913