| SpectraBase Compound ID | FmKHSX0IYR6 |
|---|---|
| InChI | InChI=1S/C7H7BrO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H3 |
| InChIKey | KEBPSJRKAZKUKP-UHFFFAOYSA-N |
| Mol Weight | 235.09 g/mol |
| Molecular Formula | C7H7BrO2S |
| Exact Mass | 233.935014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BvT4cHPWLfh |
|---|---|
| Name | 1-Bromo-2-(methylsulfonyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.935013637 u |
| Formula | C7H7BrO2S |
| InChI | InChI=1S/C7H7BrO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H3 |
| InChIKey | KEBPSJRKAZKUKP-UHFFFAOYSA-N |
| Molecular Weight | 235.095 g/mol |
| SMILES | CS(=O)(=O)C=1C(=CC=CC1)Br |