| SpectraBase Compound ID | D1LmjLn5x35 |
|---|---|
| InChI | InChI=1S/C18H20O2/c1-14(20)11-18(15-7-3-2-4-8-15)12-16-9-5-6-10-17(16)13-19/h2-10,18-19H,11-13H2,1H3 |
| InChIKey | REGBOJBVLXKJAN-UHFFFAOYSA-N |
| Mol Weight | 268.36 g/mol |
| Molecular Formula | C18H20O2 |
| Exact Mass | 268.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DJTyKbyRVdw |
|---|---|
| Name | 5-(2-Hydroxymethylphenyl)-4-phenyl-2-pentanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.146329882 u |
| Formula | C18H20O2 |
| InChI | InChI=1S/C18H20O2/c1-14(20)11-18(15-7-3-2-4-8-15)12-16-9-5-6-10-17(16)13-19/h2-10,18-19H,11-13H2,1H3 |
| InChIKey | REGBOJBVLXKJAN-UHFFFAOYSA-N |
| SMILES | CC(CC(CC=1C(=CC=CC1)CO)C=1C=CC=CC1)=O |