| SpectraBase Spectrum ID |
4VT3uRLWUCu |
| Name |
Diethylmalonic acid, ethyl 3-phenoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.178023932 u |
| Formula |
C22H26O5 |
| InChI |
InChI=1S/C22H26O5/c1-4-22(5-2,20(23)25-6-3)21(24)26-16-17-11-10-14-19(15-17)27-18-12-8-7-9-13-18/h7-15H,4-6,16H2,1-3H3 |
| InChIKey |
MKJDLFQAMIMDLT-UHFFFAOYSA-N |
| Molecular Weight |
370.445 g/mol |
| SMILES |
CCC(C(OCC)=O)(C(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953138 |
