| SpectraBase Compound ID | 6TqsYhwGgEX |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-5-8-13(4)19-15(17)10-7-6-9-14(16)18-11-12(2)3/h12-13H,5-11H2,1-4H3 |
| InChIKey | DQISUTLFHSSXCD-UHFFFAOYSA-N |
| Mol Weight | 272.38 g/mol |
| Molecular Formula | C15H28O4 |
| Exact Mass | 272.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HfEd2hQxr0B |
|---|---|
| Name | Adipic acid, isobutyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.198759378 u |
| Formula | C15H28O4 |
| InChI | InChI=1S/C15H28O4/c1-5-8-13(4)19-15(17)10-7-6-9-14(16)18-11-12(2)3/h12-13H,5-11H2,1-4H3 |
| InChIKey | DQISUTLFHSSXCD-UHFFFAOYSA-N |
| SMILES | C(CC(=O)OC(C)CCC)CCC(OCC(C)C)=O |