| SpectraBase Spectrum ID |
DsgV99bK2Eo |
| Name |
Diethylmalonic acid, di(2,4,4-trimethylpentyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.323959893 u |
| Formula |
C23H44O4 |
| InChI |
InChI=1S/C23H44O4/c1-11-23(12-2,19(24)26-15-17(3)13-21(5,6)7)20(25)27-16-18(4)14-22(8,9)10/h17-18H,11-16H2,1-10H3 |
| InChIKey |
KRDLTODXEOUAMY-UHFFFAOYSA-N |
| Molecular Weight |
384.601 g/mol |
| SMILES |
CCC(C(OCC(CC(C)(C)C)C)=O)(C(OCC(CC(C)(C)C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.992997 |
