| SpectraBase Spectrum ID |
2acoqlCVmCt |
| Name |
Diethylmalonic acid, 3,7-dimethyloctyl hexyl 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/c1-7-10-11-12-17-26-21(24)23(8-2,9-3)22(25)27-18-16-20(6)15-13-14-19(4)5/h19-20H,7-18H2,1-6H3 |
| InChIKey |
COCOPSZMTOUGFA-UHFFFAOYSA-N |
| Molecular Weight |
384.601 g/mol |
| SMILES |
CCC(C(OCCCCCC)=O)(C(OCCC(CCCC(C)C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939757 |
