| SpectraBase Spectrum ID |
63LmjjotCP2 |
| Name |
2,9-Dinitroquino[2,3-B]acridine-6,7,13,14(5H,12H)-tetrone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.034213226 u |
| Formula |
C20H8N4O8 |
| InChI |
InChI=1S/C20H8N4O8/c25-17-9-5-7(23(29)30)1-3-11(9)21-15-13(17)20(28)16-14(19(15)27)18(26)10-6-8(24(31)32)2-4-12(10)22-16/h1-6H,(H,21,25)(H,22,26) |
| InChIKey |
PARRGDLQYNUPGK-UHFFFAOYSA-N |
| Molecular Weight |
432.304 g/mol |
| SMILES |
C1=CC(=CC2=C1NC=1C(=O)C=3C(=O)C=4C=C(C=CC4NC3C(C1C2=O)=O)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.986304 |
![2,9-Dinitroquino[2,3-B]acridine-6,7,13,14(5H,12H)-tetrone](/api/spectrum/63LmjjotCP2/structure.png?h=300&w=458 "2,9-Dinitroquino[2,3-B]acridine-6,7,13,14(5H,12H)-tetrone")
