| SpectraBase Spectrum ID |
6Wcuf1e5Mwv |
| Name |
1,2-Dimethyl-3-(4-nitrophenylamino)propen-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.084792251 u |
| Formula |
C11H12N2O3 |
| InChI |
InChI=1S/C11H12N2O3/c1-8(9(2)14)7-12-10-3-5-11(6-4-10)13(15)16/h3-7,12H,1-2H3/b8-7+ |
| InChIKey |
YCVQRIWFQXRACK-BQYQJAHWSA-N |
| Molecular Weight |
220.228 g/mol |
| SMILES |
C(\C(=C\NC=1C=CC(=CC1)N(=O)=O)C)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826973 |
