| SpectraBase Compound ID | 2MldejBRDQY |
|---|---|
| InChI | InChI=1S/C14H26O4/c1-6-7-8-17-12(15)9-13(16)18-14(10(2)3)11(4)5/h10-11,14H,6-9H2,1-5H3 |
| InChIKey | JKYAHRAOWGZXLL-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 | 6reoLg5j4BX |
|---|---|
| Name | Malonic acid, butyl 2,4-dimethylpent-3-yl 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/c1-6-7-8-17-12(15)9-13(16)18-14(10(2)3)11(4)5/h10-11,14H,6-9H2,1-5H3 |
| InChIKey | JKYAHRAOWGZXLL-UHFFFAOYSA-N |
| Molecular Weight | 258.358 g/mol |
| SMILES | C(C(OC(C(C)C)C(C)C)=O)C(OCCCC)=O |