| SpectraBase Compound ID | ALI7Fik5FVN |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-5-7-9-11-13-20-15(18)16(3,4)14(17)19-12-10-8-6-2/h5-13H2,1-4H3 |
| InChIKey | TYIKBCUUIOAULM-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | zyK6JzK5B |
|---|---|
| Name | Dimethylmalonic acid, hexyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-5-7-9-11-13-20-15(18)16(3,4)14(17)19-12-10-8-6-2/h5-13H2,1-4H3 |
| InChIKey | TYIKBCUUIOAULM-UHFFFAOYSA-N |
| SMILES | CCCCCOC(C(C(=O)OCCCCCC)(C)C)=O |