| SpectraBase Spectrum ID |
84DCwRZHzRS |
| Name |
N-Crotonyl-N-phenylaminomalonic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.141972775 u |
| Formula |
C17H21NO5 |
| InChI |
InChI=1S/C17H21NO5/c1-4-10-14(19)18(13-11-8-7-9-12-13)15(16(20)22-5-2)17(21)23-6-3/h4,7-12,15H,5-6H2,1-3H3/b10-4- |
| InChIKey |
OMIWZJULELMEOM-WMZJFQQLSA-N |
| Molecular Weight |
319.357 g/mol |
| SMILES |
C1(=CC=CC=C1)N(C(C(OCC)=O)C(OCC)=O)C(\C=C/C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982404 |
