| SpectraBase Compound ID | DagxiKgya9g |
|---|---|
| InChI | InChI=1S/C7H7ClO3S/c1-12(9,10)11-7-4-2-3-6(8)5-7/h2-5H,1H3 |
| InChIKey | OXMSYLUZIWAXHO-UHFFFAOYSA-N |
| Mol Weight | 206.64 g/mol |
| Molecular Formula | C7H7ClO3S |
| Exact Mass | 205.980443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 19qtMrlhDdC |
|---|---|
| Name | 3-Chlorophenol mesylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.980442956 u |
| Formula | C7H7ClO3S |
| InChI | InChI=1S/C7H7ClO3S/c1-12(9,10)11-7-4-2-3-6(8)5-7/h2-5H,1H3 |
| InChIKey | OXMSYLUZIWAXHO-UHFFFAOYSA-N |
| Molecular Weight | 206.643 g/mol |
| SMILES | C1=C(C=CC=C1OS(C)(=O)=O)Cl |