| SpectraBase Compound ID | IeLWqWnjskC |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-5-7-8-9-10-18-14(16)11-15(17)19-13(6-2)12(3)4/h12-13H,5-11H2,1-4H3 |
| InChIKey | IKFAFFPSUBDNLB-UHFFFAOYSA-N |
| Mol Weight | 272.38 g/mol |
| Molecular Formula | C15H28O4 |
| Exact Mass | 272.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6R7jtYEQ833 |
|---|---|
| Name | Malonic acid, hexyl 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.198759378 u |
| Formula | C15H28O4 |
| InChI | InChI=1S/C15H28O4/c1-5-7-8-9-10-18-14(16)11-15(17)19-13(6-2)12(3)4/h12-13H,5-11H2,1-4H3 |
| InChIKey | IKFAFFPSUBDNLB-UHFFFAOYSA-N |
| SMILES | C(C(OC(CC)C(C)C)=O)C(OCCCCCC)=O |