| SpectraBase Spectrum ID |
8CL2F6tCETv |
| Name |
1-aza-3,12-Dioxatricyclo[8.4.0.0(1,10)]tetradeca-4,6,8-triene-2,11-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
219.053157770 u |
| Formula |
C11H9NO4 |
| InChI |
InChI=1S/C11H9NO4/c13-10-9-7-3-1-2-4-8(7)16-11(14)12(9)5-6-15-10/h1-4,9H,5-6H2 |
| InChIKey |
ZXHRKYALBHWBHE-UHFFFAOYSA-N |
| Molecular Weight |
219.196 g/mol |
| SMILES |
C1=CC=2OC(=O)N3C(C2C=C1)C(OCC3)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95415 |
![1-aza-3,12-Dioxatricyclo[8.4.0.0(1,10)]tetradeca-4,6,8-triene-2,11-dione](/api/spectrum/8CL2F6tCETv/structure.png?h=300&w=458 "1-aza-3,12-Dioxatricyclo[8.4.0.0(1,10)]tetradeca-4,6,8-triene-2,11-dione")
