| SpectraBase Spectrum ID |
99AXXCuaYDQ |
| Name |
Dimethylmalonic acid, di(2-ethylhexyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.292659764 u |
| Formula |
C21H40O4 |
| InChI |
InChI=1S/C21H40O4/c1-7-11-13-17(9-3)15-24-19(22)21(5,6)20(23)25-16-18(10-4)14-12-8-2/h17-18H,7-16H2,1-6H3 |
| InChIKey |
WYQVMTZMVCQNDJ-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
CCC(COC(C(C(=O)OCC(CCCC)CC)(C)C)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985646 |
