| SpectraBase Spectrum ID |
4jNbBpnzX4P |
| Name |
Ethyl 2-amino-3-(3-nitrophenyl)acrylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.079706870 u |
| Formula |
C11H12N2O4 |
| InChI |
InChI=1S/C11H12N2O4/c1-2-17-11(14)10(12)7-8-4-3-5-9(6-8)13(15)16/h3-7H,2,12H2,1H3/b10-7+ |
| InChIKey |
ZUTQFXJIWUKGSD-JXMROGBWSA-N |
| Molecular Weight |
236.227 g/mol |
| SMILES |
C1(N(=O)=O)=CC(\C=C/(C(=O)OCC)N)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913481 |
