| SpectraBase Compound ID | 8nQbGVSEuV |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-6-10-12-13-15-17(5)24-19(22)20(8-3,9-4)18(21)23-16-14-11-7-2/h17H,6-16H2,1-5H3 |
| InChIKey | GGGWVEIBVANVCD-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4xrG27FgOBh |
|---|---|
| Name | Diethylmalonic acid, 2-octyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.277009700 u |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-6-10-12-13-15-17(5)24-19(22)20(8-3,9-4)18(21)23-16-14-11-7-2/h17H,6-16H2,1-5H3 |
| InChIKey | GGGWVEIBVANVCD-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | CCC(C(OCCCCC)=O)(C(OC(C)CCCCCC)=O)CC |