| SpectraBase Compound ID | 7dMe3DsV6AX |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-4-5-6-7-8-9-11-19-15(17)13-16(18)20-12-10-14(2)3/h14H,4-13H2,1-3H3 |
| InChIKey | ZBFGRJCGZFSXFD-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 | DSMecjocN5p |
|---|---|
| Name | Malonic acid, 3-methylbutyl octyl 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/c1-4-5-6-7-8-9-11-19-15(17)13-16(18)20-12-10-14(2)3/h14H,4-13H2,1-3H3 |
| InChIKey | ZBFGRJCGZFSXFD-UHFFFAOYSA-N |
| SMILES | C(C(OCCC(C)C)=O)C(OCCCCCCCC)=O |