| SpectraBase Spectrum ID |
IHBukG5pVbO |
| Name |
Diethylmalonic acid, hexyl 2-methylpentyl 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/c1-6-10-11-12-14-22-17(20)19(8-3,9-4)18(21)23-15-16(5)13-7-2/h16H,6-15H2,1-5H3 |
| InChIKey |
WNWGDMHPBYPUHV-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
CCC(C(OCCCCCC)=O)(C(OCC(CCC)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812416 |
