| SpectraBase Spectrum ID |
SDuD0cR7Ly |
| Name |
Diethylmalonic acid, 3,7-dimethyloctyl octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.355260022 u |
| Formula |
C25H48O4 |
| InChI |
InChI=1S/C25H48O4/c1-7-10-11-12-13-14-19-28-23(26)25(8-2,9-3)24(27)29-20-18-22(6)17-15-16-21(4)5/h21-22H,7-20H2,1-6H3 |
| InChIKey |
JOSWAMRHFBKRRX-UHFFFAOYSA-N |
| Molecular Weight |
412.655 g/mol |
| SMILES |
CCC(C(OCCCCCCCC)=O)(C(OCCC(CCCC(C)C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931756 |
