| SpectraBase Compound ID | 5npxcWXB6qq |
|---|---|
| InChI | InChI=1S/C14H26O4/c1-6-7-9-17-12(15)14(4,5)13(16)18-10-8-11(2)3/h11H,6-10H2,1-5H3 |
| InChIKey | TUIPCPQJJFENAJ-UHFFFAOYSA-N |
| Mol Weight | 258.36 g/mol |
| Molecular Formula | C14H26O4 |
| Exact Mass | 258.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZDPhe8gdYm |
|---|---|
| Name | Dimethylmalonic acid, butyl 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.183109313 u |
| Formula | C14H26O4 |
| InChI | InChI=1S/C14H26O4/c1-6-7-9-17-12(15)14(4,5)13(16)18-10-8-11(2)3/h11H,6-10H2,1-5H3 |
| InChIKey | TUIPCPQJJFENAJ-UHFFFAOYSA-N |
| Molecular Weight | 258.358 g/mol |
| SMILES | CC(C)CCOC(=O)C(C)(C)C(OCCCC)=O |