| SpectraBase Spectrum ID |
Gky9jzizL1q |
| Name |
5,5-Dioxo-1-phenyl-hexahydro-5.lambda.(6)-thieno[3,4-B]pyrrol-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.061614454 u |
| Formula |
C12H13NO3S |
| InChI |
InChI=1S/C12H13NO3S/c14-12-6-9-7-17(15,16)8-11(9)13(12)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2 |
| InChIKey |
ZSRXAQYHCCCOLS-UHFFFAOYSA-N |
| Molecular Weight |
251.300 g/mol |
| SMILES |
C1=CC=C(N2C3CS(=O)(=O)CC3CC2=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970384 |
![5,5-Dioxo-1-phenyl-hexahydro-5.lambda.(6)-thieno[3,4-b]pyrrol-2-one](/api/spectrum/Gky9jzizL1q/structure.png?h=300&w=458 "5,5-Dioxo-1-phenyl-hexahydro-5.lambda.(6)-thieno[3,4-b]pyrrol-2-one")
