| SpectraBase Spectrum ID |
ALKNP6PeuCn |
| Name |
Diethylmalonic acid, di(2-hexyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.261359635 u |
| Formula |
C19H36O4 |
| InChI |
InChI=1S/C19H36O4/c1-7-11-13-15(5)22-17(20)19(9-3,10-4)18(21)23-16(6)14-12-8-2/h15-16H,7-14H2,1-6H3 |
| InChIKey |
JEGGTWLTNBWTPS-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
C(C(C(OC(CCCC)C)=O)(CC)CC)(OC(C)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981393 |
