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4-Methoxythiophenol, S-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

4-Methoxythiophenol, S-heptafluorobutyryl-
SpectraBase Compound ID 7lxW0e8xyNd
InChI InChI=1S/C11H7F7O2S/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 RJCNSLICLAOHKK-UHFFFAOYSA-N
Mol Weight 336.22 g/mol
Molecular Formula C11H7F7O2S
Exact Mass 336.005498 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2gxj71igc7R
Name 4-Methoxythiophenol, S-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.005497778 u
Formula C11H7F7O2S
InChI InChI=1S/C11H7F7O2S/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 RJCNSLICLAOHKK-UHFFFAOYSA-N
Molecular Weight 336.224 g/mol
SMILES C1=CC(=CC=C1SC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949983