| SpectraBase Compound ID | 4CwdjdBx8aV |
|---|---|
| InChI | InChI=1S/C13H24O4/c1-6-7-16-11(14)8-12(15)17-13(9(2)3)10(4)5/h9-10,13H,6-8H2,1-5H3 |
| InChIKey | XYGLQRLIVIQKAJ-UHFFFAOYSA-N |
| Mol Weight | 244.33 g/mol |
| Molecular Formula | C13H24O4 |
| Exact Mass | 244.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FzeCdYdBl9u |
|---|---|
| Name | Malonic acid, 2,4-dimethylpent-3-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.167459249 u |
| Formula | C13H24O4 |
| InChI | InChI=1S/C13H24O4/c1-6-7-16-11(14)8-12(15)17-13(9(2)3)10(4)5/h9-10,13H,6-8H2,1-5H3 |
| InChIKey | XYGLQRLIVIQKAJ-UHFFFAOYSA-N |
| Molecular Weight | 244.331 g/mol |
| SMILES | C(C(OC(C(C)C)C(C)C)=O)C(OCCC)=O |