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3,4-Dimethoxythiophenol, S-trimethylacetyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

3,4-Dimethoxythiophenol, S-trimethylacetyl-
SpectraBase Compound ID 8ajLAPJn2pY
InChI InChI=1S/C13H18O3S/c1-13(2,3)12(14)17-9-6-7-10(15-4)11(8-9)16-5/h6-8H,1-5H3
InChIKey NSGGEQUAUXNCTO-UHFFFAOYSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Esla0rZWcW
Name 3,4-Dimethoxythiophenol, S-trimethylacetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.097665611 u
Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-13(2,3)12(14)17-9-6-7-10(15-4)11(8-9)16-5/h6-8H,1-5H3
InChIKey NSGGEQUAUXNCTO-UHFFFAOYSA-N
Molecular Weight 254.344 g/mol
SMILES C1(SC(C(C)(C)C)=O)=CC(=C(C=C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94049