| SpectraBase Compound ID | 7H9BXhKOuNq |
|---|---|
| InChI | InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)11-12(2,9)10/h3-6H,1-2H3 |
| InChIKey | XUEGVQIJMFWBLO-UHFFFAOYSA-N |
| Mol Weight | 186.22 g/mol |
| Molecular Formula | C8H10O3S |
| Exact Mass | 186.035065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AJcLXntcKU4 |
|---|---|
| Name | p-Tolyl methanesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.035065353 u |
| Formula | C8H10O3S |
| InChI | InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)11-12(2,9)10/h3-6H,1-2H3 |
| InChIKey | XUEGVQIJMFWBLO-UHFFFAOYSA-N |
| Molecular Weight | 186.225 g/mol |
| SMILES | C=1C=C(OS(C)(=O)=O)C=CC1C |