| SpectraBase Compound ID | A77vBgGfROs |
|---|---|
| InChI | InChI=1S/C13H24O4/c1-4-6-7-8-11(3)17-13(15)10-12(14)16-9-5-2/h11H,4-10H2,1-3H3 |
| InChIKey | UNQUXNIACIMTOX-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 | EEHSfTkqwOU |
|---|---|
| Name | Malonic acid, 2-heptyl 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/c1-4-6-7-8-11(3)17-13(15)10-12(14)16-9-5-2/h11H,4-10H2,1-3H3 |
| InChIKey | UNQUXNIACIMTOX-UHFFFAOYSA-N |
| Molecular Weight | 244.331 g/mol |
| SMILES | C(OC(C)CCCCC)(CC(OCCC)=O)=O |