| SpectraBase Spectrum ID |
4PfkpqGjVRX |
| Name |
Dimethylmalonic acid, 2-ethylhexyl isohexyl 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/c1-7-9-12-16(8-2)14-23-18(21)19(5,6)17(20)22-13-10-11-15(3)4/h15-16H,7-14H2,1-6H3 |
| InChIKey |
PXJNNGOFQABAOR-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
CC(C)CCCOC(C(C(=O)OCC(CCCC)CC)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913426 |
