| SpectraBase Spectrum ID |
JnW7R2Ly450 |
| Name |
Diethylmalonic acid, heptadecyl 2-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
510.464810472 u |
| Formula |
C32H62O4 |
| InChI |
InChI=1S/C32H62O4/c1-6-10-12-14-15-16-17-18-19-20-21-22-23-24-26-28-35-30(33)32(8-3,9-4)31(34)36-29(5)27-25-13-11-7-2/h29H,6-28H2,1-5H3 |
| InChIKey |
PPHFWDDRZSYTLF-UHFFFAOYSA-N |
| Molecular Weight |
510.844 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCCC)=O)(C(OC(C)CCCCCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930158 |
