| SpectraBase Compound ID | 3Ols9LxPBZS |
|---|---|
| InChI | InChI=1S/C14H16O2/c1-10(15)11-5-7-12(8-6-11)13-3-2-4-14(16)9-13/h5-8,13H,2-4,9H2,1H3 |
| InChIKey | UZNLMUDKBLFUCH-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C14H16O2 |
| Exact Mass | 216.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CwVBERgtkZ2 |
|---|---|
| Name | 3-(4-Acetylphenyl)cyclohexan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.115029753 u |
| Formula | C14H16O2 |
| InChI | InChI=1S/C14H16O2/c1-10(15)11-5-7-12(8-6-11)13-3-2-4-14(16)9-13/h5-8,13H,2-4,9H2,1H3 |
| InChIKey | UZNLMUDKBLFUCH-UHFFFAOYSA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | C1(CC(CCC1)C=1C=CC(=CC1)C(=O)C)=O |