| SpectraBase Spectrum ID |
wNs0MTImil |
| Name |
Diethylmalonic acid, 3-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/c1-4-14-22-17(20)19(5-2,6-3)18(21)23-15-10-13-16-11-8-7-9-12-16/h7-9,11-12H,4-6,10,13-15H2,1-3H3 |
| InChIKey |
XLKCAQRRXUZDIB-UHFFFAOYSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
CCC(C(OCCC)=O)(C(OCCCC1=CC=CC=C1)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974992 |
