| SpectraBase Spectrum ID |
6HO6uiGWIj8 |
| Name |
Diethylmalonic acid, 4-biphenyl ethyl 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/c1-4-21(5-2,19(22)24-6-3)20(23)25-18-14-12-17(13-15-18)16-10-8-7-9-11-16/h7-15H,4-6H2,1-3H3 |
| InChIKey |
JJWJWBJUOWHDNW-UHFFFAOYSA-N |
| Molecular Weight |
340.419 g/mol |
| SMILES |
CCC(C(OCC)=O)(C(OC1=CC=C(C2=CC=CC=C2)C=C1)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966646 |
