| SpectraBase Spectrum ID |
A6mixx67VAI |
| Name |
Diethylmalonic acid, 3,7-dimethyloctyl tetradecyl 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/c1-7-10-11-12-13-14-15-16-17-18-19-20-25-34-29(32)31(8-2,9-3)30(33)35-26-24-28(6)23-21-22-27(4)5/h27-28H,7-26H2,1-6H3 |
| InChIKey |
ABGPBEHBSBTUBP-UHFFFAOYSA-N |
| Molecular Weight |
496.817 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCC)=O)(C(OCCC(CCCC(C)C)C)=O)CC |
