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2,5-Dimethoxythiophenol, S-pentafluoropropionyl-

View entire compound with spectra: 1 FTIR

2,5-Dimethoxythiophenol, S-pentafluoropropionyl-
SpectraBase Compound ID Bvjpu4D1npO
InChI InChI=1S/C11H9F5O3S/c1-18-6-3-4-7(19-2)8(5-6)20-9(17)10(12,13)11(14,15)16/h3-5H,1-2H3
InChIKey DTBVMYCJGFPGOR-UHFFFAOYSA-N
Mol Weight 316.24 g/mol
Molecular Formula C11H9F5O3S
Exact Mass 316.019256 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HLCg2fe8J0f
Name 2,5-Dimethoxythiophenol, S-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.019256136 u
Formula C11H9F5O3S
InChI InChI=1S/C11H9F5O3S/c1-18-6-3-4-7(19-2)8(5-6)20-9(17)10(12,13)11(14,15)16/h3-5H,1-2H3
InChIKey DTBVMYCJGFPGOR-UHFFFAOYSA-N
Molecular Weight 316.242 g/mol
SMILES C1(SC(C(C(F)(F)F)(F)F)=O)=C(C=CC(=C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914378