| SpectraBase Spectrum ID |
CwEtZFN47GQ |
| Name |
5,7,8,9-Tetrahydro-1,3-dioxolo[4,5-1][1]benzazocine-6,10-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
233.068807834 u |
| Formula |
C12H11NO4 |
| InChI |
InChI=1S/C12H11NO4/c14-9-2-1-3-12(15)13-8-5-11-10(4-7(8)9)16-6-17-11/h4-5H,1-3,6H2,(H,13,15) |
| InChIKey |
DPTVSIPCLJDSSI-UHFFFAOYSA-N |
| Molecular Weight |
233.223 g/mol |
| SMILES |
N1C2=CC=3OCOC3C=C2C(CCCC1=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.952091 |
![5,7,8,9-Tetrahydro-1,3-dioxolo[4,5-1][1]benzazocine-6,10-dione](/api/spectrum/CwEtZFN47GQ/structure.png?h=300&w=458 "5,7,8,9-Tetrahydro-1,3-dioxolo[4,5-1][1]benzazocine-6,10-dione")
