| SpectraBase Compound ID | BueakJeNYP |
|---|---|
| InChI | InChI=1S/C21H15FO4/c22-17-12-10-16(11-13-17)21(24)26-19-9-5-4-8-18(19)25-20(23)14-15-6-2-1-3-7-15/h1-13H,14H2 |
| InChIKey | FOBCRBGSSTUWEH-UHFFFAOYSA-N |
| Mol Weight | 350.35 g/mol |
| Molecular Formula | C21H15FO4 |
| Exact Mass | 350.095437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZjzR0v5B5A |
|---|---|
| Name | 1,2-Benzenediol, o-(4-fluorobenzoyl)-o'-phenylacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.095437122 u |
| Formula | C21H15FO4 |
| InChI | InChI=1S/C21H15FO4/c22-17-12-10-16(11-13-17)21(24)26-19-9-5-4-8-18(19)25-20(23)14-15-6-2-1-3-7-15/h1-13H,14H2 |
| InChIKey | FOBCRBGSSTUWEH-UHFFFAOYSA-N |
| Molecular Weight | 350.345 g/mol |
| SMILES | C1=CC=C(C=C1)CC(OC=1C(=CC=CC1)OC(=O)C1=CC=C(C=C1)F)=O |