| SpectraBase Spectrum ID |
4FYLxHp6cze |
| Name |
2-Butenoic acid, 4-[(2,6-dimethyl-phenyl)amino]-4-oxo-, (Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
219.089543280 u |
| Formula |
C12H13NO3 |
| InChI |
InChI=1S/C12H13NO3/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(15)16/h3-7H,1-2H3,(H,13,14)(H,15,16)/b7-6+ |
| InChIKey |
BDIUUKLMBSBKIT-VOTSOKGWSA-N |
| Molecular Weight |
219.240 g/mol |
| SMILES |
N(C(\C=C\C(O)=O)=O)C1=C(C=CC=C1C)C |
| Spectrum/Structure Validation Score (Raman) |
0.888309 |
![2-Butenoic acid, 4-[(2,6-dimethyl-phenyl)amino]-4-oxo-, (Z)-](/api/spectrum/4FYLxHp6cze/structure.png?h=300&w=458 "2-Butenoic acid, 4-[(2,6-dimethyl-phenyl)amino]-4-oxo-, (Z)-")
