| SpectraBase Compound ID | 20tCt6RvN35 |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-6-7-8-9-10-11-12-13-22-17(20)14-18(21)23-19(15(2)3)16(4)5/h15-16,19H,6-14H2,1-5H3 |
| InChIKey | COIFERFHOUOION-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 | LqZ73Gimugq |
|---|---|
| Name | Malonic acid, 2,4-dimethylpent-3-yl nonyl 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/c1-6-7-8-9-10-11-12-13-22-17(20)14-18(21)23-19(15(2)3)16(4)5/h15-16,19H,6-14H2,1-5H3 |
| InChIKey | COIFERFHOUOION-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(C(OC(C(C)C)C(C)C)=O)C(OCCCCCCCCC)=O |