| SpectraBase Spectrum ID |
Fwzco4RYYje |
| Name |
Diethylmalonic acid, 2,4,4-trimethylpentyl 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/c1-8-11-12-13-14-15-16-17-18-19-29-23(27)26(9-2,10-3)24(28)30-21-22(4)20-25(5,6)7/h22H,8-21H2,1-7H3 |
| InChIKey |
SQGBMJRUOCXPNV-UHFFFAOYSA-N |
| Molecular Weight |
426.682 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCC)=O)(C(OCC(CC(C)(C)C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813464 |
