| SpectraBase Spectrum ID |
L4YFqeJDBcC |
| Name |
Dimethylmalonic acid, 4-octyl octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.449160408 u |
| Formula |
C31H60O4 |
| InChI |
InChI=1S/C31H60O4/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-34-29(32)31(4,5)30(33)35-28(25-8-3)26-10-7-2/h28H,6-27H2,1-5H3 |
| InChIKey |
DOXNFDVAVRKNOL-UHFFFAOYSA-N |
| Molecular Weight |
496.817 g/mol |
| SMILES |
CCCC(OC(=O)C(C)(C)C(OCCCCCCCCCCCCCCCCCC)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95701 |
