| SpectraBase Spectrum ID |
7sBBYGEsqGI |
| Name |
2H-1,5-Methano-1,3-benzodiazocine-2,4,11-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.037842058 u |
| Formula |
C11H6N2O3 |
| InChI |
InChI=1S/C11H6N2O3/c14-9-7-5-6-3-1-2-4-8(6)13(10(7)15)11(16)12-9/h1-5H,(H,12,14,16) |
| InChIKey |
UPEFPGPQPKIJJL-UHFFFAOYSA-N |
| Molecular Weight |
214.180 g/mol |
| SMILES |
C1=C2C(=O)N(C=3C=CC=CC13)C(NC2=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980125 |
