| SpectraBase Compound ID | Jf3aT56aqqp |
|---|---|
| InChI | InChI=1S/C16H30O/c1-6-8-13(17)9-10-14-15(2,3)11-7-12-16(14,4)5/h14H,6-12H2,1-5H3 |
| InChIKey | ARFJCZXAJLBJFL-UHFFFAOYSA-N |
| Mol Weight | 238.41 g/mol |
| Molecular Formula | C16H30O |
| Exact Mass | 238.229666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GGijBKJupzm |
|---|---|
| Name | 1-(2,2,6,6-Tetramethylcyclohexyl)-3-hexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.229665585 u |
| Formula | C16H30O |
| InChI | InChI=1S/C16H30O/c1-6-8-13(17)9-10-14-15(2,3)11-7-12-16(14,4)5/h14H,6-12H2,1-5H3 |
| InChIKey | ARFJCZXAJLBJFL-UHFFFAOYSA-N |
| Molecular Weight | 238.415 g/mol |
| SMILES | C1(C(CCCC1(C)C)(C)C)CCC(=O)CCC |