![3-([1,1'-Biphenyl]-4-yl)cyclohexan-1-one](/api/spectrum/KAUcGHWYoCb/structure.png?h=300&w=458 "3-([1,1'-Biphenyl]-4-yl)cyclohexan-1-one")
| SpectraBase Compound ID | AdWRv6fXnDO |
|---|---|
| InChI | InChI=1S/C18H18O/c19-18-8-4-7-17(13-18)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2 |
| InChIKey | PHMNEQQEHAHWCB-UHFFFAOYSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C18H18O |
| Exact Mass | 250.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KAUcGHWYoCb |
|---|---|
| Name | 3-([1,1'-Biphenyl]-4-yl)cyclohexan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.135765199 u |
| Formula | C18H18O |
| InChI | InChI=1S/C18H18O/c19-18-8-4-7-17(13-18)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2 |
| InChIKey | PHMNEQQEHAHWCB-UHFFFAOYSA-N |
| Molecular Weight | 250.341 g/mol |
| SMILES | C1(CC(CCC1)C=1C=CC(=CC1)C=1C=CC=CC1)=O |