| SpectraBase Spectrum ID |
EFNOnn8qxeG |
| Name |
Diethylmalonic acid, 3-methylbenzyl octadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.417860279 u |
| Formula |
C33H56O4 |
| InChI |
InChI=1S/C33H56O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-36-31(34)33(6-2,7-3)32(35)37-28-30-25-23-24-29(4)27-30/h23-25,27H,5-22,26,28H2,1-4H3 |
| InChIKey |
VMGZEHKIGZLICW-UHFFFAOYSA-N |
| Molecular Weight |
516.807 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCCCC)=O)(C(OCC1=CC(=CC=C1)C)=O)CC |
