| SpectraBase Compound ID | DDzI6ARUHCY |
|---|---|
| InChI | InChI=1S/C16H16O/c1-16(2)11-14(10-15(17)12-16)9-8-13-6-4-3-5-7-13/h3-7,10H,11-12H2,1-2H3 |
| InChIKey | BMLRUUXGLLLNKL-UHFFFAOYSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C16H16O |
| Exact Mass | 224.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6uvybXoCIQs |
|---|---|
| Name | 5,5-Dimethyl-1-(2-phenyl-1-ethynyl)-1-cyclohexen-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.120115134 u |
| Formula | C16H16O |
| InChI | InChI=1S/C16H16O/c1-16(2)11-14(10-15(17)12-16)9-8-13-6-4-3-5-7-13/h3-7,10H,11-12H2,1-2H3 |
| InChIKey | BMLRUUXGLLLNKL-UHFFFAOYSA-N |
| Molecular Weight | 224.303 g/mol |
| SMILES | C(#CC1=CC=CC=C1)C1=CC(=O)CC(C1)(C)C |