| SpectraBase Compound ID | 78EdjU261zB |
|---|---|
| InChI | InChI=1S/C8H9BrO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | TXCUMOWGVFRXPD-UHFFFAOYSA-N |
| Mol Weight | 249.12 g/mol |
| Molecular Formula | C8H9BrO2S |
| Exact Mass | 247.950664 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GIhUBLfvedL |
|---|---|
| Name | 2-Bromoethyl phenyl sulfone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.950663702 u |
| Formula | C8H9BrO2S |
| InChI | InChI=1S/C8H9BrO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | TXCUMOWGVFRXPD-UHFFFAOYSA-N |
| Molecular Weight | 249.122 g/mol |
| SMILES | C=1C(=CC=CC1)S(=O)(=O)CCBr |
| Spectrum/Structure Validation Score (Raman) | 0.893858 |