| SpectraBase Compound ID | IWvKL3hcXLF |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-4-5-6-7-12-19-15(17)9-8-10-16(18)20-13-11-14(2)3/h11H,4-10,12-13H2,1-3H3 |
| InChIKey | VRHNMFYREZUTCC-UHFFFAOYSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A0SzpwPTS6Q |
|---|---|
| Name | Glutaric acid, hexyl 3-methylbut-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-4-5-6-7-12-19-15(17)9-8-10-16(18)20-13-11-14(2)3/h11H,4-10,12-13H2,1-3H3 |
| InChIKey | VRHNMFYREZUTCC-UHFFFAOYSA-N |
| SMILES | CC(=CCOC(CCCC(OCCCCCC)=O)=O)C |