| SpectraBase Compound ID | goF77rI3Wb |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-4-5-8-13-20-16(18)11-6-7-12-17(19)21-14-9-10-15(2)3/h4,15H,1,5-14H2,2-3H3 |
| InChIKey | DQGXHUOVOKREPW-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 | 2KtbYNFxZlq |
|---|---|
| Name | Adipic acid, isohexyl 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/c1-4-5-8-13-20-16(18)11-6-7-12-17(19)21-14-9-10-15(2)3/h4,15H,1,5-14H2,2-3H3 |
| InChIKey | DQGXHUOVOKREPW-UHFFFAOYSA-N |
| SMILES | C(CCC(OCCCC=C)=O)CC(OCCCC(C)C)=O |