| SpectraBase Spectrum ID |
AgORsYCYZNy |
| Name |
(Z)-3-Amino-3-(4-methylphenyl)-2-propenoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
205.110278725 u |
| Formula |
C12H15NO2 |
| InChI |
InChI=1S/C12H15NO2/c1-3-15-12(14)8-11(13)10-6-4-9(2)5-7-10/h4-8H,3,13H2,1-2H3/b11-8- |
| InChIKey |
UBGYTDILSOBSKQ-FLIBITNWSA-N |
| Molecular Weight |
205.257 g/mol |
| SMILES |
C=1(\C(=C\C(=O)OCC)N)C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898846 |
