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3-Ethoxythiophenol, S-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

3-Ethoxythiophenol, S-heptafluorobutyryl-
SpectraBase Compound ID IwU2yVwDWvK
InChI InChI=1S/C12H9F7O2S/c1-2-21-7-4-3-5-8(6-7)22-9(20)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3
InChIKey YVWXHCHFLZUHAC-UHFFFAOYSA-N
Mol Weight 350.25 g/mol
Molecular Formula C12H9F7O2S
Exact Mass 350.021148 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 32k0U9nbeeZ
Name 3-Ethoxythiophenol, S-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.021147843 u
Formula C12H9F7O2S
InChI InChI=1S/C12H9F7O2S/c1-2-21-7-4-3-5-8(6-7)22-9(20)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3
InChIKey YVWXHCHFLZUHAC-UHFFFAOYSA-N
Molecular Weight 350.251 g/mol
SMILES C1(SC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC(=CC=C1)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938922