| SpectraBase Spectrum ID |
LNpS2Kq7cNE |
| Name |
3,5-Dinitro-7-pyridine-2-yl-7-azabicyclo[4.2.0]octa-1(6), 2,4-trien-8-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.033819304 u |
| Formula |
C12H6N4O5 |
| InChI |
InChI=1S/C12H6N4O5/c17-12-8-5-7(15(18)19)6-9(16(20)21)11(8)14(12)10-3-1-2-4-13-10/h1-6H |
| InChIKey |
RNVWEBSRGOWOQA-UHFFFAOYSA-N |
| Molecular Weight |
286.203 g/mol |
| SMILES |
C1(=CC(=C2C(=C1)C(N2C1=NC=CC=C1)=O)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844411 |
![3,5-Dinitro-7-pyridine-2-yl-7-azabicyclo[4.2.0]octa-1(6), 2,4-trien-8-one](/api/spectrum/LNpS2Kq7cNE/structure.png?h=300&w=458 "3,5-Dinitro-7-pyridine-2-yl-7-azabicyclo[4.2.0]octa-1(6), 2,4-trien-8-one")
