![Benzene, 1,2-dimethoxy-4-[[(4-methylphenyl)sulfonyl]methyl]-](/api/spectrum/IIFQErfth3C/structure.png?h=300&w=458 "Benzene, 1,2-dimethoxy-4-[[(4-methylphenyl)sulfonyl]methyl]-")
| SpectraBase Compound ID | 2yzrbwYSWDC |
|---|---|
| InChI | InChI=1S/C16H18O4S/c1-12-4-7-14(8-5-12)21(17,18)11-13-6-9-15(19-2)16(10-13)20-3/h4-10H,11H2,1-3H3 |
| InChIKey | OYIMHHHTFVJGDS-UHFFFAOYSA-N |
| Mol Weight | 306.38 g/mol |
| Molecular Formula | C16H18O4S |
| Exact Mass | 306.09258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IIFQErfth3C |
|---|---|
| Name | Benzene, 1,2-dimethoxy-4-[[(4-methylphenyl)sulfonyl]methyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.092580230 u |
| Formula | C16H18O4S |
| InChI | InChI=1S/C16H18O4S/c1-12-4-7-14(8-5-12)21(17,18)11-13-6-9-15(19-2)16(10-13)20-3/h4-10H,11H2,1-3H3 |
| InChIKey | OYIMHHHTFVJGDS-UHFFFAOYSA-N |
| Molecular Weight | 306.376 g/mol |
| SMILES | C1(=CC=C(C(=C1)OC)OC)CS(=O)(=O)C1=CC=C(C=C1)C |