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1-(3,4-Dimethoxyphenyl)-2-(methylsulfonyl)ethanone

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1-(3,4-Dimethoxyphenyl)-2-(methylsulfonyl)ethanone
SpectraBase Compound ID E7g2cTfXIMO
InChI InChI=1S/C11H14O5S/c1-15-10-5-4-8(6-11(10)16-2)9(12)7-17(3,13)14/h4-6H,7H2,1-3H3
InChIKey JMMBFEXEKDFMCT-UHFFFAOYSA-N
Mol Weight 258.29 g/mol
Molecular Formula C11H14O5S
Exact Mass 258.056195 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4JU58S0aaXw
Name 1-(3,4-Dimethoxyphenyl)-2-(methylsulfonyl)ethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.056194720 u
Formula C11H14O5S
InChI InChI=1S/C11H14O5S/c1-15-10-5-4-8(6-11(10)16-2)9(12)7-17(3,13)14/h4-6H,7H2,1-3H3
InChIKey JMMBFEXEKDFMCT-UHFFFAOYSA-N
Molecular Weight 258.288 g/mol
SMILES C(=O)(C1=CC=C(OC)C(OC)=C1)CS(C)(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85311