| SpectraBase Compound ID | EeOwUDdzGD2 |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-4-6-9-13-19-15(17)11-7-8-12-16(18)20-14(3)10-5-2/h5,14H,2,4,6-13H2,1,3H3 |
| InChIKey | HMHVUQQWRHWDMU-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 | 2W5LxZvwstE |
|---|---|
| Name | Adipic acid, pent-4-en-2-yl pentyl 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/c1-4-6-9-13-19-15(17)11-7-8-12-16(18)20-14(3)10-5-2/h5,14H,2,4,6-13H2,1,3H3 |
| InChIKey | HMHVUQQWRHWDMU-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C)CC=C)=O)CC(OCCCCC)=O |