| SpectraBase Compound ID | JnUXuanv55Y |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-12(2)11-19-14(17)9-7-8-10-15(18)20-13(3)16(4,5)6/h12-13H,7-11H2,1-6H3 |
| InChIKey | YIPIGJMQOMHXJF-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EIIs4aKAqFs |
|---|---|
| Name | Adipic acid, 3,3-dimethylbut-2-yl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-12(2)11-19-14(17)9-7-8-10-15(18)20-13(3)16(4,5)6/h12-13H,7-11H2,1-6H3 |
| InChIKey | YIPIGJMQOMHXJF-UHFFFAOYSA-N |
| SMILES | C(OC(C(C)(C)C)C)(CCCCC(OCC(C)C)=O)=O |