| SpectraBase Spectrum ID |
C7coevcov2Z |
| Name |
Dimethyl 2-amino-3-benzylbut-2-enedioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.100107963 u |
| Formula |
C13H15NO4 |
| InChI |
InChI=1S/C13H15NO4/c1-17-12(15)10(11(14)13(16)18-2)8-9-6-4-3-5-7-9/h3-7H,8,14H2,1-2H3/b11-10- |
| InChIKey |
PGNUQUMQHPCPEV-KHPPLWFESA-N |
| Molecular Weight |
249.266 g/mol |
| SMILES |
C(\C(=C\(C(=O)OC)CC1=CC=CC=C1)N)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895317 |
