| SpectraBase Spectrum ID |
KrUe2CD6BuP |
| Name |
Diethylmalonic acid, 2-octyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.370910086 u |
| Formula |
C26H50O4 |
| InChI |
InChI=1S/C26H50O4/c1-6-10-12-14-15-16-17-18-20-22-29-24(27)26(8-3,9-4)25(28)30-23(5)21-19-13-11-7-2/h23H,6-22H2,1-5H3 |
| InChIKey |
QYXLUKYHFNEVAD-UHFFFAOYSA-N |
| Molecular Weight |
426.682 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCC)=O)(C(OC(C)CCCCCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904469 |
