| SpectraBase Compound ID | 1zTLS1Hafaq |
|---|---|
| InChI | InChI=1S/C4H9BrO2S/c1-2-8(6,7)4-3-5/h2-4H2,1H3 |
| InChIKey | DLALRTNMFJVUSC-UHFFFAOYSA-N |
| Mol Weight | 201.08 g/mol |
| Molecular Formula | C4H9BrO2S |
| Exact Mass | 199.950664 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6FEEeELCuow |
|---|---|
| Name | 1-Bromo-2-(ethanesulfonyl)ethane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.950663702 u |
| Formula | C4H9BrO2S |
| InChI | InChI=1S/C4H9BrO2S/c1-2-8(6,7)4-3-5/h2-4H2,1H3 |
| InChIKey | DLALRTNMFJVUSC-UHFFFAOYSA-N |
| Molecular Weight | 201.078 g/mol |
| SMILES | C(CS(CC)(=O)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884555 |