| SpectraBase Spectrum ID |
6BlbYrBERrp |
| Name |
Ethyl 2-acetylamino-2-cyano-3-(4-methoxyphenyl)-5-oxo-5-(4-fluorophenyl)pentanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.159100007 u |
| Formula |
C23H23FN2O5 |
| InChI |
InChI=1S/C23H23FN2O5/c1-4-31-22(29)23(14-25,26-15(2)27)20(16-7-11-19(30-3)12-8-16)13-21(28)17-5-9-18(24)10-6-17/h5-12,20H,4,13H2,1-3H3,(H,26,27) |
| InChIKey |
BFEJFUPNPSXSCN-UHFFFAOYSA-N |
| Molecular Weight |
426.444 g/mol |
| SMILES |
C(C(C(CC(C=1C=CC(=CC1)F)=O)C=1C=CC(=CC1)OC)(C#N)NC(=O)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88012 |
