| SpectraBase Compound ID | 1aEcdIVF3PR |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-6-7-12-19-14(17)10-8-9-11-15(18)20-13(2)16(3,4)5/h13H,6-12H2,1-5H3 |
| InChIKey | DSUHKJOUORNRHM-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 | 8d7LBdoocgq |
|---|---|
| Name | Adipic acid, butyl 3,3-dimethylbut-2-yl 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/c1-6-7-12-19-14(17)10-8-9-11-15(18)20-13(2)16(3,4)5/h13H,6-12H2,1-5H3 |
| InChIKey | DSUHKJOUORNRHM-UHFFFAOYSA-N |
| SMILES | C(OC(C(C)(C)C)C)(CCCCC(OCCCC)=O)=O |