| SpectraBase Spectrum ID |
HFBHzZBCVCB |
| Name |
Ethyl 2-(2'-benzamido-2'-oxoacetamido)-2-cyano-5-phenylpropanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
393.132470719 u |
| Formula |
C21H19N3O5 |
| InChI |
InChI=1S/C21H19N3O5/c1-3-29-20(28)21(2,13-22)24-19(27)18(26)23-17(25)16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3,(H,24,27)(H,23,25,26) |
| InChIKey |
WVANVMBCRSSOOL-UHFFFAOYSA-N |
| Molecular Weight |
393.399 g/mol |
| SMILES |
C(NC(C(NC(C1=CC(C=2C=CC=CC2)=CC=C1)=O)=O)=O)(C(=O)OCC)(C#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848623 |
