| SpectraBase Spectrum ID |
1XRfxDXaGja |
| Name |
12-Nitro-3,9-diazatricyclo[8.4.0.0(3,7)]tetradeca-1(10),11,13-triene-2,8-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.074955842 u |
| Formula |
C12H11N3O4 |
| InChI |
InChI=1S/C12H11N3O4/c16-11-10-2-1-5-14(10)12(17)8-4-3-7(15(18)19)6-9(8)13-11/h3-4,6,10H,1-2,5H2,(H,13,16) |
| InChIKey |
QLRLVUVGAUQSGD-UHFFFAOYSA-N |
| Molecular Weight |
261.237 g/mol |
| SMILES |
C12=C(C(N3CCCC3C(N2)=O)=O)C=CC(=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885319 |
![12-Nitro-3,9-diazatricyclo[8.4.0.0(3,7)]tetradeca-1(10),11,13-triene-2,8-dione](/api/spectrum/1XRfxDXaGja/structure.png?h=300&w=458 "12-Nitro-3,9-diazatricyclo[8.4.0.0(3,7)]tetradeca-1(10),11,13-triene-2,8-dione")
