| SpectraBase Spectrum ID |
BugjVJAe08n |
| Name |
Diethylmalonic acid, hexadecyl 2,4,4-trimethylpentyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.449160408 u |
| Formula |
C31H60O4 |
| InChI |
InChI=1S/C31H60O4/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-23-24-34-28(32)31(9-2,10-3)29(33)35-26-27(4)25-30(5,6)7/h27H,8-26H2,1-7H3 |
| InChIKey |
XZDNYJCJZUMHPF-UHFFFAOYSA-N |
| Molecular Weight |
496.817 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OCC(CC(C)(C)C)C)=O)CC |
