| SpectraBase Compound ID | FDsVXFbNz0A |
|---|---|
| InChI | InChI=1S/C9H16O.C8H14O/c1-6-4-9(10)5-7(2)8(6)3;1-6-3-7(2)5-8(9)4-6/h6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3 |
| InChIKey | HPINHWJOTBKFQH-UHFFFAOYSA-N |
| Mol Weight | 266.42 g/mol |
| Molecular Formula | C17H30O2 |
| Exact Mass | 266.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JivKDlzXd5w |
|---|---|
| Name | Condensation product-containing cyclohexanone and methyl-cyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.224580204 u |
| Formula | C17H30O2 |
| InChI | InChI=1S/C9H16O.C8H14O/c1-6-4-9(10)5-7(2)8(6)3;1-6-3-7(2)5-8(9)4-6/h6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3 |
| InChIKey | HPINHWJOTBKFQH-UHFFFAOYSA-N |
| Molecular Weight | 266.425 g/mol |
| SMILES | C1C(CC(CC1C)C)=O.C1C(CC(C(C1C)C)C)=O |