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3,4-Dimethoxythiophenol, S-(2-methylpropionyl)-

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

3,4-Dimethoxythiophenol, S-(2-methylpropionyl)-
SpectraBase Compound ID 82nEAhThWM8
InChI InChI=1S/C12H16O3S/c1-8(2)12(13)16-9-5-6-10(14-3)11(7-9)15-4/h5-8H,1-4H3
InChIKey XNIGDYAYILPYIA-UHFFFAOYSA-N
Mol Weight 240.32 g/mol
Molecular Formula C12H16O3S
Exact Mass 240.082016 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LvH6QQ4uKRg
Name 3,4-Dimethoxythiophenol, S-(2-methylpropionyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.082015546 u
Formula C12H16O3S
InChI InChI=1S/C12H16O3S/c1-8(2)12(13)16-9-5-6-10(14-3)11(7-9)15-4/h5-8H,1-4H3
InChIKey XNIGDYAYILPYIA-UHFFFAOYSA-N
Molecular Weight 240.317 g/mol
SMILES C1(SC(C(C)C)=O)=CC(=C(C=C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884051