| SpectraBase Compound ID | 7hgDJmSJPgB |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-7-10-19-14(17)16(8-2,9-3)15(18)20-13(6)11-12(4)5/h12-13H,7-11H2,1-6H3 |
| InChIKey | VEIILULWHHXPPN-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3sHQFT6x5ZV |
|---|---|
| Name | Diethylmalonic acid, 4-methylpent-2-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-7-10-19-14(17)16(8-2,9-3)15(18)20-13(6)11-12(4)5/h12-13H,7-11H2,1-6H3 |
| InChIKey | VEIILULWHHXPPN-UHFFFAOYSA-N |
| SMILES | CCC(C(OCCC)=O)(C(OC(C)CC(C)C)=O)CC |