| SpectraBase Compound ID | CEpjsL8VZ7m |
|---|---|
| InChI | InChI=1S/C16H16O/c1-13(17)16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3 |
| InChIKey | XDAVLIQWOJQCMR-UHFFFAOYSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C16H16O |
| Exact Mass | 224.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2QxgUTD7chg |
|---|---|
| Name | 1-(2-Phenethylphenyl)ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.120115134 u |
| Formula | C16H16O |
| InChI | InChI=1S/C16H16O/c1-13(17)16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3 |
| InChIKey | XDAVLIQWOJQCMR-UHFFFAOYSA-N |
| Molecular Weight | 224.303 g/mol |
| SMILES | C=1(C(=O)C)C(CCC2=CC=CC=C2)=CC=CC1 |