| SpectraBase Spectrum ID |
DIaPXUhsg08 |
| Name |
3-(2-Nitrobenzyliden)acetylacetone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
233.068807834 u |
| Formula |
C12H11NO4 |
| InChI |
InChI=1S/C12H11NO4/c1-8(14)11(9(2)15)7-10-5-3-4-6-12(10)13(16)17/h3-7H,1-2H3 |
| InChIKey |
AMQHJMLYYMZWGV-UHFFFAOYSA-N |
| Molecular Weight |
233.223 g/mol |
| SMILES |
CC(=O)C(C(=O)C)=CC=1C(=CC=CC1)[N+](=O)[O-] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865562 |
