| SpectraBase Compound ID | 13iA5R807q0 |
|---|---|
| InChI | InChI=1S/C7H7BrO3S/c1-12(9,10)11-7-4-2-6(8)3-5-7/h2-5H,1H3 |
| InChIKey | PJWZKEHXEQWESI-UHFFFAOYSA-N |
| Mol Weight | 251.09 g/mol |
| Molecular Formula | C7H7BrO3S |
| Exact Mass | 249.929928 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kmm0JohT7V9 |
|---|---|
| Name | Methyl p-bromophenyl sulphonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.929928256 u |
| Formula | C7H7BrO3S |
| InChI | InChI=1S/C7H7BrO3S/c1-12(9,10)11-7-4-2-6(8)3-5-7/h2-5H,1H3 |
| InChIKey | PJWZKEHXEQWESI-UHFFFAOYSA-N |
| Molecular Weight | 251.094 g/mol |
| SMILES | C=1(OS(=O)(=O)C)C=CC(=CC1)Br |