| SpectraBase Compound ID | 22O72bCLTHI |
|---|---|
| InChI | InChI=1S/C7H7NO5S/c1-14(12,13)5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3 |
| InChIKey | WPYHDEFQVGUCQZ-UHFFFAOYSA-N |
| Mol Weight | 217.19 g/mol |
| Molecular Formula | C7H7NO5S |
| Exact Mass | 217.004493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GP7DPn2CVGE |
|---|---|
| Name | 4-(Methylsulfonyl)-2-nitrophenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.004493498 u |
| Formula | C7H7NO5S |
| InChI | InChI=1S/C7H7NO5S/c1-14(12,13)5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3 |
| InChIKey | WPYHDEFQVGUCQZ-UHFFFAOYSA-N |
| Molecular Weight | 217.195 g/mol |
| SMILES | OC=1C=CC(=CC1N(=O)=O)S(=O)(=O)C |