| SpectraBase Compound ID | A5OcJqtclDW |
|---|---|
| InChI | InChI=1S/C22H16O3/c1-14-6-5-9-16(10-14)17-11-18(23)22-19(24)13-20(25-21(22)12-17)15-7-3-2-4-8-15/h2-13,23H,1H3 |
| InChIKey | JQRIMUSIASVPNI-UHFFFAOYSA-N |
| Mol Weight | 328.37 g/mol |
| Molecular Formula | C22H16O3 |
| Exact Mass | 328.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DQGSE55z9RC |
|---|---|
| Name | 5-Hydroxy-2-phenyl-7-(m-tolyl)-4H-chromen-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.109944372 u |
| Formula | C22H16O3 |
| InChI | InChI=1S/C22H16O3/c1-14-6-5-9-16(10-14)17-11-18(23)22-19(24)13-20(25-21(22)12-17)15-7-3-2-4-8-15/h2-13,23H,1H3 |
| InChIKey | JQRIMUSIASVPNI-UHFFFAOYSA-N |
| Molecular Weight | 328.367 g/mol |
| SMILES | C=12C(C=C(OC2=CC(=CC1O)C=1C=C(C)C=CC1)C=1C=CC=CC1)=O |