| SpectraBase Spectrum ID |
GTRHOs9ItMG |
| Name |
2-(Methylamino)-3-nitronaphthalene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.048406742 u |
| Formula |
C11H8N2O4 |
| InChI |
InChI=1S/C11H8N2O4/c1-12-8-9(13(16)17)11(15)7-5-3-2-4-6(7)10(8)14/h2-5,12H,1H3 |
| InChIKey |
GSPWEXMMMZFGCR-UHFFFAOYSA-N |
| Molecular Weight |
232.195 g/mol |
| SMILES |
C1(C2=C(C=CC=C2)C(C(=C1N(=O)=O)NC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849864 |
