| SpectraBase Compound ID | 3dESswWJnhl |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-5-8-13(6-2)19-15(17)11-14(16)18-10-7-9-12(3)4/h12-13H,5-11H2,1-4H3 |
| InChIKey | UNIBWHBRYIBESH-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 | 2sKB0IFVwpW |
|---|---|
| Name | Malonic acid, 3-hexyl isohexyl 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/c1-5-8-13(6-2)19-15(17)11-14(16)18-10-7-9-12(3)4/h12-13H,5-11H2,1-4H3 |
| InChIKey | UNIBWHBRYIBESH-UHFFFAOYSA-N |
| SMILES | C(OC(CC)CCC)(CC(OCCCC(C)C)=O)=O |