| SpectraBase Compound ID | F5I04ZO6kz8 |
|---|---|
| InChI | InChI=1S/C13H14O/c1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12/h5-9H,2-4H2,1H3 |
| InChIKey | RBOQSOBLPPMHSJ-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C13H14O |
| Exact Mass | 186.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ACvXPfrpvZ |
|---|---|
| Name | 3-(4-Methylphenyl)-1-cyclohex-2-enone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.104465070 u |
| Formula | C13H14O |
| InChI | InChI=1S/C13H14O/c1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12/h5-9H,2-4H2,1H3 |
| InChIKey | RBOQSOBLPPMHSJ-UHFFFAOYSA-N |
| Molecular Weight | 186.254 g/mol |
| SMILES | C1(=CC(=O)CCC1)C=1C=CC(=CC1)C |