| SpectraBase Spectrum ID |
TvS4gFIV7t |
| Name |
Diethyl 2-(2-(benzyl(methyl)amino)-2-oxoacetyl)-2-(1-phenylvinyl)malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.183837587 u |
| Formula |
C25H27NO6 |
| InChI |
InChI=1S/C25H27NO6/c1-5-31-23(29)25(24(30)32-6-2,18(3)20-15-11-8-12-16-20)21(27)22(28)26(4)17-19-13-9-7-10-14-19/h7-16H,3,5-6,17H2,1-2,4H3 |
| InChIKey |
DJVBVBYPJGKQLL-UHFFFAOYSA-N |
| Molecular Weight |
437.492 g/mol |
| SMILES |
C(C(C(N(CC1=CC=CC=C1)C)=O)=O)(C(OCC)=O)(C(OCC)=O)C(=C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95851 |
