| SpectraBase Compound ID | 9lA7T24MFec |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-6-7-8-9-10-18-13(16)15(4,5)14(17)19-11-12(2)3/h12H,6-11H2,1-5H3 |
| InChIKey | KHMQSUWTIUSIRV-UHFFFAOYSA-N |
| Mol Weight | 272.38 g/mol |
| Molecular Formula | C15H28O4 |
| Exact Mass | 272.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EULKmKoZbCg |
|---|---|
| Name | Dimethylmalonic acid, hexyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.198759378 u |
| Formula | C15H28O4 |
| InChI | InChI=1S/C15H28O4/c1-6-7-8-9-10-18-13(16)15(4,5)14(17)19-11-12(2)3/h12H,6-11H2,1-5H3 |
| InChIKey | KHMQSUWTIUSIRV-UHFFFAOYSA-N |
| SMILES | CCCCCCOC(C(C(=O)OCC(C)C)(C)C)=O |