| SpectraBase Compound ID | 7AVREguyPoo |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-2-3-4-8-11(13)10-7-5-6-9-12(10)14/h10H,2-9H2,1H3 |
| InChIKey | MVSJGHNTDUMJJZ-UHFFFAOYSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4uFJFqjz8il |
|---|---|
| Name | (+/-)-2-hexanoylcyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-2-3-4-8-11(13)10-7-5-6-9-12(10)14/h10H,2-9H2,1H3 |
| InChIKey | MVSJGHNTDUMJJZ-UHFFFAOYSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C1(C(CCCC1)C(CCCCC)=O)=O |