| SpectraBase Compound ID | BULvsG3XKet |
|---|---|
| InChI | InChI=1S/C22H18O2/c1-16-12-14-17(15-13-16)20(21(23)18-8-4-2-5-9-18)22(24)19-10-6-3-7-11-19/h2-15,20H,1H3 |
| InChIKey | JVEYMJZFHIAKNQ-UHFFFAOYSA-N |
| Mol Weight | 314.38 g/mol |
| Molecular Formula | C22H18O2 |
| Exact Mass | 314.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AF9ry1xbrew |
|---|---|
| Name | 2-(4'-Methylphenyl)-1.3-diphenylpropane-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.130679818 u |
| Formula | C22H18O2 |
| InChI | InChI=1S/C22H18O2/c1-16-12-14-17(15-13-16)20(21(23)18-8-4-2-5-9-18)22(24)19-10-6-3-7-11-19/h2-15,20H,1H3 |
| InChIKey | JVEYMJZFHIAKNQ-UHFFFAOYSA-N |
| SMILES | C(C(C(=O)C=1C=CC=CC1)C=1C=CC(=CC1)C)(=O)C=1C=CC=CC1 |