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3,4-Dimethoxythiophenol, S-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

3,4-Dimethoxythiophenol, S-heptafluorobutyryl-
SpectraBase Compound ID AdSCPx7G8WE
InChI InChI=1S/C12H9F7O3S/c1-21-7-4-3-6(5-8(7)22-2)23-9(20)10(13,14)11(15,16)12(17,18)19/h3-5H,1-2H3
InChIKey PYNDTZOGSOCZJZ-UHFFFAOYSA-N
Mol Weight 366.25 g/mol
Molecular Formula C12H9F7O3S
Exact Mass 366.016062 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Age94Xel93g
Name 3,4-Dimethoxythiophenol, S-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.016062462 u
Formula C12H9F7O3S
InChI InChI=1S/C12H9F7O3S/c1-21-7-4-3-6(5-8(7)22-2)23-9(20)10(13,14)11(15,16)12(17,18)19/h3-5H,1-2H3
InChIKey PYNDTZOGSOCZJZ-UHFFFAOYSA-N
Molecular Weight 366.250 g/mol
SMILES C1(SC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC(=C(C=C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918037