| SpectraBase Spectrum ID |
EI9wN8Y7YMo |
| Name |
Dibenzylmalonic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.167459249 u |
| Formula |
C21H24O4 |
| InChI |
InChI=1S/C21H24O4/c1-3-24-19(22)21(20(23)25-4-2,15-17-11-7-5-8-12-17)16-18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3 |
| InChIKey |
HLMXVMRWOCZNGP-UHFFFAOYSA-N |
| Molecular Weight |
340.419 g/mol |
| SMILES |
C=1C(=CC=CC1)CC(CC=1C=CC=CC1)(C(OCC)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Raman) |
0.972026 |
