| SpectraBase Compound ID | CWfIPir5F40 |
|---|---|
| InChI | InChI=1S/C16H20O2/c17-15-11-7-2-1-4-10-14(15)12-16(18)13-8-5-3-6-9-13/h3,5-6,8-9,14H,1-2,4,7,10-12H2 |
| InChIKey | HCEPJMBEGDIBPY-UHFFFAOYSA-N |
| Mol Weight | 244.33 g/mol |
| Molecular Formula | C16H20O2 |
| Exact Mass | 244.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FTuOvxSqVy1 |
|---|---|
| Name | Cyclooctanone, 2-(2-oxo-2-phenylethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.146329882 u |
| Formula | C16H20O2 |
| InChI | InChI=1S/C16H20O2/c17-15-11-7-2-1-4-10-14(15)12-16(18)13-8-5-3-6-9-13/h3,5-6,8-9,14H,1-2,4,7,10-12H2 |
| InChIKey | HCEPJMBEGDIBPY-UHFFFAOYSA-N |
| Molecular Weight | 244.334 g/mol |
| SMILES | C(CC1C(=O)CCCCCC1)(=O)C1=CC=CC=C1 |