| SpectraBase Compound ID | 53gQXa9fsLg |
|---|---|
| InChI | InChI=1S/C15H15ClO3S/c1-10-4-6-14(7-5-10)20(17,18)19-13-8-11(2)15(16)12(3)9-13/h4-9H,1-3H3 |
| InChIKey | MOTKRHXGMGYIHX-UHFFFAOYSA-N |
| Mol Weight | 310.8 g/mol |
| Molecular Formula | C15H15ClO3S |
| Exact Mass | 310.043043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ClBp40jHHaP |
|---|---|
| Name | 4-Chloro-3,5-dimethylphenol tosylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.043043214 u |
| Formula | C15H15ClO3S |
| InChI | InChI=1S/C15H15ClO3S/c1-10-4-6-14(7-5-10)20(17,18)19-13-8-11(2)15(16)12(3)9-13/h4-9H,1-3H3 |
| InChIKey | MOTKRHXGMGYIHX-UHFFFAOYSA-N |
| Molecular Weight | 310.795 g/mol |
| SMILES | CC1=CC(OS(C2=CC=C(C=C2)C)(=O)=O)=CC(=C1Cl)C |