| SpectraBase Compound ID | Cj5V4DA4woD |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-3-5-7-11-15-21-17(19)13-9-8-12-16(18)20-14-10-6-4-2/h4H,2-3,5-15H2,1H3 |
| InChIKey | GOAGTLJBVXMPKD-UHFFFAOYSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2YNlfTjzO2r |
|---|---|
| Name | Adipic acid, hexyl pent-4-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-3-5-7-11-15-21-17(19)13-9-8-12-16(18)20-14-10-6-4-2/h4H,2-3,5-15H2,1H3 |
| InChIKey | GOAGTLJBVXMPKD-UHFFFAOYSA-N |
| SMILES | C(CCC(OCCCC=C)=O)CC(OCCCCCC)=O |