| SpectraBase Compound ID | C3wajWufLj2 |
|---|---|
| InChI | InChI=1S/C16H18O2/c17-15-10-4-6-13(12-15)7-5-11-16(18)14-8-2-1-3-9-14/h1-3,5,8-9,11,13H,4,6-7,10,12H2/b11-5+ |
| InChIKey | BXPCKELECVVQFU-VZUCSPMQSA-N |
| Mol Weight | 242.32 g/mol |
| Molecular Formula | C16H18O2 |
| Exact Mass | 242.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Qv0ompEs4S |
|---|---|
| Name | 3-(4-oxo-4-Phenyl-2(E)-butenyl)cyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.130679818 u |
| Formula | C16H18O2 |
| InChI | InChI=1S/C16H18O2/c17-15-10-4-6-13(12-15)7-5-11-16(18)14-8-2-1-3-9-14/h1-3,5,8-9,11,13H,4,6-7,10,12H2/b11-5+ |
| InChIKey | BXPCKELECVVQFU-VZUCSPMQSA-N |
| Molecular Weight | 242.318 g/mol |
| SMILES | C(\C=C\CC1CC(=O)CCC1)(=O)C1=CC=CC=C1 |