| SpectraBase Spectrum ID |
J6VXvY4iyTw |
| Name |
Ethyl 2-acetylamino-2-cyano-3-(4-methoxyphenyl)-5-oxo-5-phenylpentanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.168521876 u |
| Formula |
C23H24N2O5 |
| InChI |
InChI=1S/C23H24N2O5/c1-4-30-22(28)23(15-24,25-16(2)26)20(17-10-12-19(29-3)13-11-17)14-21(27)18-8-6-5-7-9-18/h5-13,20H,4,14H2,1-3H3,(H,25,26) |
| InChIKey |
IOTNIGXWGRTJGE-UHFFFAOYSA-N |
| Molecular Weight |
408.454 g/mol |
| SMILES |
C(C(C(CC(C=1C=CC=CC1)=O)C=1C=CC(=CC1)OC)(C#N)NC(=O)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918886 |
