| SpectraBase Spectrum ID |
4raQnEu99gh |
| Name |
3-Thia-9-azatricyclo[5.3.0.0(2,6)]decane-8,10-dione 3,3-dioxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
215.025228944 u |
| Formula |
C8H9NO4S |
| InChI |
InChI=1S/C8H9NO4S/c10-7-4-3-1-2-14(12,13)6(3)5(4)8(11)9-7/h3-6H,1-2H2,(H,9,10,11)/t3-,4-,5-,6-/m1/s1 |
| InChIKey |
YWJZZRLYDAWVEP-KVTDHHQDSA-N |
| Molecular Weight |
215.223 g/mol |
| SMILES |
[C@]12([C@@]3(S(CC[C@@]3([C@]2(C(=O)NC1=O)[H])[H])(=O)=O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869407 |
![3-Thia-9-azatricyclo[5.3.0.0(2,6)]decane-8,10-dione 3,3-dioxide](/api/spectrum/4raQnEu99gh/structure.png?h=300&w=458 "3-Thia-9-azatricyclo[5.3.0.0(2,6)]decane-8,10-dione 3,3-dioxide")
