| SpectraBase Spectrum ID |
IzmO1fYjuhJ |
| Name |
Diethyl 2-(4-chlorobenzyl)-2-(4-(methoxycarbonyloxy)but-2-enyl)malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.128880838 u |
| Formula |
C20H25ClO7 |
| InChI |
InChI=1S/C20H25ClO7/c1-4-26-17(22)20(18(23)27-5-2,12-6-7-13-28-19(24)25-3)14-15-8-10-16(21)11-9-15/h6-11H,4-5,12-14H2,1-3H3/b7-6- |
| InChIKey |
YTUJJRHYZNZCIJ-SREVYHEPSA-N |
| Molecular Weight |
412.866 g/mol |
| SMILES |
C=1C=C(CC(C(OCC)=O)(C\C=C/COC(OC)=O)C(OCC)=O)C=CC1Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953635 |
