![2-[(4-Methoxyphenyl)sulfonyl]-1,4-benzenediol](/api/spectrum/1KfJGhrHmP6/structure.png?h=300&w=458 "2-[(4-Methoxyphenyl)sulfonyl]-1,4-benzenediol")
| SpectraBase Compound ID | FPFUuxIhzP |
|---|---|
| InChI | InChI=1S/C13H12O5S/c1-18-10-3-5-11(6-4-10)19(16,17)13-8-9(14)2-7-12(13)15/h2-8,14-15H,1H3 |
| InChIKey | ADDXGDKFIMUQSN-UHFFFAOYSA-N |
| Mol Weight | 280.29 g/mol |
| Molecular Formula | C13H12O5S |
| Exact Mass | 280.040545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1KfJGhrHmP6 |
|---|---|
| Name | 2-[(4-Methoxyphenyl)sulfonyl]-1,4-benzenediol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.040544655 u |
| Formula | C13H12O5S |
| InChI | InChI=1S/C13H12O5S/c1-18-10-3-5-11(6-4-10)19(16,17)13-8-9(14)2-7-12(13)15/h2-8,14-15H,1H3 |
| InChIKey | ADDXGDKFIMUQSN-UHFFFAOYSA-N |
| SMILES | OC=1C=C(C(=CC1)O)S(C=1C=CC(=CC1)OC)(=O)=O |