| SpectraBase Compound ID | 5urQXi0knjh |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-5-15(6-2)21-17(19)12-8-7-11-16(18)20-13-9-10-14(3)4/h14-15H,5-13H2,1-4H3 |
| InChIKey | IHRYOZVLJUIAFT-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9UCSyhNhlMZ |
|---|---|
| Name | Adipic acid, isohexyl 3-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-5-15(6-2)21-17(19)12-8-7-11-16(18)20-13-9-10-14(3)4/h14-15H,5-13H2,1-4H3 |
| InChIKey | IHRYOZVLJUIAFT-UHFFFAOYSA-N |
| SMILES | C(CCC(=O)OC(CC)CC)CC(OCCCC(C)C)=O |