| SpectraBase Compound ID | DYGBnvJcS5w |
|---|---|
| InChI | InChI=1S/C14H26O2/c1-6-13(15)16-12-8-7-10(2)9-11(12)14(3,4)5/h10-12H,6-9H2,1-5H3 |
| InChIKey | ZMJLRAHAPYQOPZ-UHFFFAOYSA-N |
| Mol Weight | 226.36 g/mol |
| Molecular Formula | C14H26O2 |
| Exact Mass | 226.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vmtGfR41cb |
|---|---|
| Name | Cyclohexanol, 2-(1,1-dimethylethyl)-4-methyl-, propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.193280075 u |
| Formula | C14H26O2 |
| InChI | InChI=1S/C14H26O2/c1-6-13(15)16-12-8-7-10(2)9-11(12)14(3,4)5/h10-12H,6-9H2,1-5H3 |
| InChIKey | ZMJLRAHAPYQOPZ-UHFFFAOYSA-N |
| Molecular Weight | 226.360 g/mol |
| SMILES | C1C(C(CC(C1)C)C(C)(C)C)OC(CC)=O |