| SpectraBase Compound ID | BiZZKt40F0W |
|---|---|
| InChI | InChI=1S/C18H20O2/c1-12-4-7-15(8-5-12)17(19)11-18(20)16-9-6-13(2)14(3)10-16/h4-10,17,19H,11H2,1-3H3 |
| InChIKey | MCVGIFZDOVLCTA-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 | 2BpK5llC9pq |
|---|---|
| Name | 3-Hydroxy-1-(3, 4-dimethylphenyl)-3-p-tolylpropan-1-one |
| 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/c1-12-4-7-15(8-5-12)17(19)11-18(20)16-9-6-13(2)14(3)10-16/h4-10,17,19H,11H2,1-3H3 |
| InChIKey | MCVGIFZDOVLCTA-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C(=C1)C)C)(CC(O)C=1C=CC(C)=CC1)=O |