| SpectraBase Compound ID | KCdb762RDYP |
|---|---|
| InChI | InChI=1S/C16H20O2/c1-12(17)15(13-7-3-2-4-8-13)11-14-9-5-6-10-16(14)18/h2-4,7-8,14-15H,5-6,9-11H2,1H3 |
| InChIKey | BERVZZSYSGFMTG-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 | Rdn9N9ImwZ |
|---|---|
| Name | 2(2 Phenyl 3 butanone) 1 cyclohexanone |
| 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/c1-12(17)15(13-7-3-2-4-8-13)11-14-9-5-6-10-16(14)18/h2-4,7-8,14-15H,5-6,9-11H2,1H3 |
| InChIKey | BERVZZSYSGFMTG-UHFFFAOYSA-N |
| Molecular Weight | 244.334 g/mol |
| SMILES | C(C(C(=O)C)C1=CC=CC=C1)C1C(=O)CCCC1 |