| SpectraBase Compound ID | 7ABHLx5hUkJ |
|---|---|
| InChI | InChI=1S/C15H18O2/c16-14-8-4-7-13(10-14)11-15(17)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2 |
| InChIKey | USPPENIRSBLKRH-UHFFFAOYSA-N |
| Mol Weight | 230.31 g/mol |
| Molecular Formula | C15H18O2 |
| Exact Mass | 230.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DN6rUmIbU5w |
|---|---|
| Name | Cyclohexanone, 3-(2-oxo-3-phenylpropyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.130679818 u |
| Formula | C15H18O2 |
| InChI | InChI=1S/C15H18O2/c16-14-8-4-7-13(10-14)11-15(17)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2 |
| InChIKey | USPPENIRSBLKRH-UHFFFAOYSA-N |
| Molecular Weight | 230.307 g/mol |
| SMILES | C(=O)(CC1CC(=O)CCC1)CC1=CC=CC=C1 |