| SpectraBase Compound ID | 6eZC8B4fa3k |
|---|---|
| InChI | InChI=1S/C4H7BrO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2 |
| InChIKey | IPOKQKBJDASROB-UHFFFAOYSA-N |
| Mol Weight | 199.06 g/mol |
| Molecular Formula | C4H7BrO2S |
| Exact Mass | 197.935014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I141okD5e7x |
|---|---|
| Name | 3-Bromotetrahydrothiophene 1,1-dioxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.935013637 u |
| Formula | C4H7BrO2S |
| InChI | InChI=1S/C4H7BrO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2 |
| InChIKey | IPOKQKBJDASROB-UHFFFAOYSA-N |
| Molecular Weight | 199.062 g/mol |
| SMILES | C1S(=O)(=O)CCC1Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94317 |