| SpectraBase Spectrum ID |
1UjnvCMKWZw |
| Name |
Diethylmalonic acid, heptadecyl 2,4,4-trimethylpentyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
510.464810472 u |
| Formula |
C32H62O4 |
| InChI |
InChI=1S/C32H62O4/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35-29(33)32(9-2,10-3)30(34)36-27-28(4)26-31(5,6)7/h28H,8-27H2,1-7H3 |
| InChIKey |
LBCYZAPGDKWPNV-UHFFFAOYSA-N |
| Molecular Weight |
510.844 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCCC)=O)(C(OCC(CC(C)(C)C)C)=O)CC |
