| SpectraBase Spectrum ID |
9FmhMrwdCzJ |
| Name |
Diethylmalonic acid, heptyl 2-hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-6-10-12-13-14-16-23-18(21)20(8-3,9-4)19(22)24-17(5)15-11-7-2/h17H,6-16H2,1-5H3 |
| InChIKey |
NJJMSTYBUSQGNJ-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(C(C(OCCCCCCC)=O)(CC)CC)(OC(C)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955391 |
