| SpectraBase Spectrum ID |
4xp7zJG1fcK |
| Name |
Diethylmalonic acid, 1-phenylpropyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.198759378 u |
| Formula |
C19H28O4 |
| InChI |
InChI=1S/C19H28O4/c1-5-14-22-17(20)19(7-3,8-4)18(21)23-16(6-2)15-12-10-9-11-13-15/h9-13,16H,5-8,14H2,1-4H3 |
| InChIKey |
LZCDIRBKEVVVJB-UHFFFAOYSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
CCC(C(OCCC)=O)(C(OC(CC)C1=CC=CC=C1)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978745 |
