![exo-6-Bromo-endo-7-hydroxy-3-thiabicyclo[3.2.0]heptane-3,3'-dioxide](/api/spectrum/50P9cLHMBQs/structure.png?h=300&w=458 "exo-6-Bromo-endo-7-hydroxy-3-thiabicyclo[3.2.0]heptane-3,3'-dioxide")
| SpectraBase Compound ID | 4k6UwPOQH9g |
|---|---|
| InChI | InChI=1S/C6H9BrO3S/c7-5-3-1-11(9,10)2-4(3)6(5)8/h3-6,8H,1-2H2 |
| InChIKey | SHEGLDPMZJLSKA-UHFFFAOYSA-N |
| Mol Weight | 241.1 g/mol |
| Molecular Formula | C6H9BrO3S |
| Exact Mass | 239.945578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 50P9cLHMBQs |
|---|---|
| Name | exo-6-Bromo-endo-7-hydroxy-3-thiabicyclo[3.2.0]heptane-3,3'-dioxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.945578321 u |
| Formula | C6H9BrO3S |
| InChI | InChI=1S/C6H9BrO3S/c7-5-3-1-11(9,10)2-4(3)6(5)8/h3-6,8H,1-2H2 |
| InChIKey | SHEGLDPMZJLSKA-UHFFFAOYSA-N |
| SMILES | C1S(CC2C(C(C12)Br)O)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.859123 |