| SpectraBase Compound ID | JcNz09F2nD4 |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-13(2)8-7-11-19-15(17)9-5-6-10-16(18)20-12-14(3)4/h13-14H,5-12H2,1-4H3 |
| InChIKey | NDMITWCUHROWJU-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 | LQFbGpCiAHl |
|---|---|
| Name | Adipic acid, isobutyl isohexyl 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/c1-13(2)8-7-11-19-15(17)9-5-6-10-16(18)20-12-14(3)4/h13-14H,5-12H2,1-4H3 |
| InChIKey | NDMITWCUHROWJU-UHFFFAOYSA-N |
| SMILES | C(CCC(=O)OCC(C)C)CC(OCCCC(C)C)=O |