| SpectraBase Compound ID | 9TwvTzPvYW4 |
|---|---|
| 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 |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C19H36O4 |
| Exact Mass | 328.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1CdTOPFDtYF |
|---|---|
| Name | Diethylmalonic acid, hexyl 2-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| 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 |