| SpectraBase Spectrum ID |
GdkEJ5Wt9y2 |
| Name |
3A-Cyano-2,3-dihydro-[1]benzothieno[3,2-B]pyrrole 4,4-dioxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.030648678 u |
| Formula |
C11H8N2O2S |
| InChI |
InChI=1S/C11H8N2O2S/c12-7-11-5-6-13-10(11)8-3-1-2-4-9(8)16(11,14)15/h1-4H,5-6H2 |
| InChIKey |
CAKDLOCEIFFZHO-UHFFFAOYSA-N |
| Molecular Weight |
232.257 g/mol |
| SMILES |
C12(S(C=3C(C2=NCC1)=CC=CC3)(=O)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870906 |
![3a-Cyano-2,3-dihydro-[1]benzothieno[3,2-b]pyrrole 4,4-dioxide](/api/spectrum/GdkEJ5Wt9y2/structure.png?h=300&w=458 "3a-Cyano-2,3-dihydro-[1]benzothieno[3,2-b]pyrrole 4,4-dioxide")
