| SpectraBase Compound ID | B9e3s7NDiKz |
|---|---|
| InChI | InChI=1S/C22H20O2/c1-16-13-14-21(24-22(23)19-11-7-4-8-12-19)20(15-16)17(2)18-9-5-3-6-10-18/h3-15,17H,1-2H3 |
| InChIKey | UFNMZUCRDPURHM-UHFFFAOYSA-N |
| Mol Weight | 316.4 g/mol |
| Molecular Formula | C22H20O2 |
| Exact Mass | 316.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CUpUXni9k1m |
|---|---|
| Name | 4-Methyl-2-(1-phenylethyl)phenyl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.146329882 u |
| Formula | C22H20O2 |
| InChI | InChI=1S/C22H20O2/c1-16-13-14-21(24-22(23)19-11-7-4-8-12-19)20(15-16)17(2)18-9-5-3-6-10-18/h3-15,17H,1-2H3 |
| InChIKey | UFNMZUCRDPURHM-UHFFFAOYSA-N |
| Molecular Weight | 316.400 g/mol |
| SMILES | C1(=C(C=CC(=C1)C)OC(=O)C1=CC=CC=C1)C(C)C1=CC=CC=C1 |