| SpectraBase Compound ID | 2bc1fB72Aqp |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-3-5-7-9-14-20-16(18)12-10-11-15(17)19-13-8-6-4-2/h4H,2-3,5-14H2,1H3 |
| InChIKey | KXQLUIQKAJTHGA-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 | 28N0P7YjcQa |
|---|---|
| Name | Glutaric acid, hexyl pent-4-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/c1-3-5-7-9-14-20-16(18)12-10-11-15(17)19-13-8-6-4-2/h4H,2-3,5-14H2,1H3 |
| InChIKey | KXQLUIQKAJTHGA-UHFFFAOYSA-N |
| SMILES | CCCCCCOC(CCCC(OCCCC=C)=O)=O |