| SpectraBase Spectrum ID |
9eAFD2FcH44 |
| Name |
Diethylmalonic acid, dodecyl hept-4-yl 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/c1-6-11-12-13-14-15-16-17-18-19-22-29-24(27)26(9-4,10-5)25(28)30-23(20-7-2)21-8-3/h23H,6-22H2,1-5H3 |
| InChIKey |
PDDSGGDXGVIBSE-UHFFFAOYSA-N |
| Molecular Weight |
426.682 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCC)=O)(C(OC(CCC)CCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805794 |
