| SpectraBase Spectrum ID |
4AfXDxdf4hX |
| Name |
Diethylmalonic acid, octadecyl 2-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
524.480460537 u |
| Formula |
C33H64O4 |
| InChI |
InChI=1S/C33H64O4/c1-6-10-12-14-15-16-17-18-19-20-21-22-23-24-25-27-29-36-31(34)33(8-3,9-4)32(35)37-30(5)28-26-13-11-7-2/h30H,6-29H2,1-5H3 |
| InChIKey |
SBJJIHPRJNSUFT-UHFFFAOYSA-N |
| Molecular Weight |
524.871 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCCCC)=O)(C(OC(C)CCCCCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942659 |
