| SpectraBase Spectrum ID |
L7ia3OH1gyw |
| Name |
Diethylmalonic acid, 2-octyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-6-10-12-13-15-17(5)24-19(22)20(8-3,9-4)18(21)23-16-14-11-7-2/h17H,6-16H2,1-5H3 |
| InChIKey |
GGGWVEIBVANVCD-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
CCC(C(OCCCCC)=O)(C(OC(C)CCCCCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92676 |
