| SpectraBase Compound ID | HbwysckDr3S |
|---|---|
| InChI | InChI=1S/C13H24O4/c1-5-7-8-16-12(14)9-13(15)17-11(6-2)10(3)4/h10-11H,5-9H2,1-4H3 |
| InChIKey | WXPGCPZSNBVHQN-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 | IIjZMCaEYWx |
|---|---|
| Name | Malonic acid, butyl 2-methylpent-3-yl 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/c1-5-7-8-16-12(14)9-13(15)17-11(6-2)10(3)4/h10-11H,5-9H2,1-4H3 |
| InChIKey | WXPGCPZSNBVHQN-UHFFFAOYSA-N |
| Molecular Weight | 244.331 g/mol |
| SMILES | C(C(OC(CC)C(C)C)=O)C(OCCCC)=O |