| SpectraBase Spectrum ID |
4qBvxCV08nd |
| Name |
Diethylmalonic acid, heptadecyl heptyl 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/c1-5-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-35-30(33)31(7-3,8-4)29(32)34-27-25-23-12-10-6-2/h5-28H2,1-4H3 |
| InChIKey |
QGEKIQJTHZUEKM-UHFFFAOYSA-N |
| Molecular Weight |
496.817 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCCC)=O)(C(OCCCCCCC)=O)CC |
