| SpectraBase Spectrum ID |
5IC6CQJ8sIE |
| Name |
Diethylmalonic acid, 3,7-dimethyloctyl hexadecyl 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/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-27-36-31(34)33(8-2,9-3)32(35)37-28-26-30(6)25-23-24-29(4)5/h29-30H,7-28H2,1-6H3 |
| InChIKey |
SBIPXPRVASVWRY-UHFFFAOYSA-N |
| Molecular Weight |
524.871 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OCCC(CCCC(C)C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862236 |
