| SpectraBase Spectrum ID |
CDU0cepiMEU |
| Name |
Diethylmalonic acid, 2-ethylphenyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-5-9-12-15-23-18(21)20(7-3,8-4)19(22)24-17-14-11-10-13-16(17)6-2/h10-11,13-14H,5-9,12,15H2,1-4H3 |
| InChIKey |
DZJMUOHJILMZDP-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
CCC(C(OCCCCC)=O)(C(OC1=C(C=CC=C1)CC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889678 |
