| SpectraBase Spectrum ID |
4215RIwyHDT |
| Name |
Diethylmalonic acid, 3,7-dimethyloctyl octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
552.511760666 u |
| Formula |
C35H68O4 |
| InChI |
InChI=1S/C35H68O4/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-38-33(36)35(8-2,9-3)34(37)39-30-28-32(6)27-25-26-31(4)5/h31-32H,7-30H2,1-6H3 |
| InChIKey |
IGGJKWYVCWMTOH-UHFFFAOYSA-N |
| Molecular Weight |
552.925 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCCCC)=O)(C(OCCC(CCCC(C)C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904926 |
