| SpectraBase Spectrum ID |
5tGp09eypJn |
| Name |
exo,exo-6,7-Dibromo-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 |
301.861176670 u |
| Formula |
C6H8Br2O2S |
| InChI |
InChI=1S/C6H8Br2O2S/c7-5-3-1-11(9,10)2-4(3)6(5)8/h3-6H,1-2H2 |
| InChIKey |
WDTNFRCQKWMNKX-UHFFFAOYSA-N |
| Molecular Weight |
303.996 g/mol |
| SMILES |
C1S(CC2C(C(C12)Br)Br)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883345 |
![exo,exo-6,7-Dibromo-3-thiabicyclo[3.2.0]heptane-3,3-dioxide](/api/spectrum/5tGp09eypJn/structure.png?h=300&w=458 "exo,exo-6,7-Dibromo-3-thiabicyclo[3.2.0]heptane-3,3-dioxide")
