| SpectraBase Compound ID | DsGbXOj6neo |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-7-9-10-14(8-2)12-21-16(19)17(5,6)15(18)20-11-13(3)4/h13-14H,7-12H2,1-6H3 |
| InChIKey | BKYHAZQDCNRIGN-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5mp6TuwHslo |
|---|---|
| Name | Dimethylmalonic acid, 2-ethylhexyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-7-9-10-14(8-2)12-21-16(19)17(5,6)15(18)20-11-13(3)4/h13-14H,7-12H2,1-6H3 |
| InChIKey | BKYHAZQDCNRIGN-UHFFFAOYSA-N |
| SMILES | CC(C)COC(C(C(=O)OCC(CCCC)CC)(C)C)=O |