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4,6-Dimethyl-2-(phenylsulfonyl)anisole

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

4,6-Dimethyl-2-(phenylsulfonyl)anisole
SpectraBase Compound ID 52PlOaNN7vs
InChI InChI=1S/C15H16O3S/c1-11-9-12(2)15(18-3)14(10-11)19(16,17)13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKey UBJMKKWGYCIEOR-UHFFFAOYSA-N
Mol Weight 276.35 g/mol
Molecular Formula C15H16O3S
Exact Mass 276.082016 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BsbDeTYpmNu
Name 4,6-Dimethyl-2-(phenylsulfonyl)anisole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.082015546 u
Formula C15H16O3S
InChI InChI=1S/C15H16O3S/c1-11-9-12(2)15(18-3)14(10-11)19(16,17)13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKey UBJMKKWGYCIEOR-UHFFFAOYSA-N
Molecular Weight 276.350 g/mol
SMILES C=1C(=CC=CC1)S(=O)(=O)C=1C=C(C=C(C1OC)C)C
Spectrum/Structure Validation Score (Raman) 0.861145