| SpectraBase Spectrum ID |
6NbupbC5EKj |
| Name |
Dimethylmalonic acid, 2-ethylhexyl hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.261359635 u |
| Formula |
C19H36O4 |
| InChI |
InChI=1S/C19H36O4/c1-6-9-11-12-14-22-17(20)19(4,5)18(21)23-15-16(8-3)13-10-7-2/h16H,6-15H2,1-5H3 |
| InChIKey |
FKOKKVOVRWNLHH-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
CCCCCCOC(C(C(=O)OCC(CCCC)CC)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89792 |
