| SpectraBase Compound ID | 9zQxWLVuP28 |
|---|---|
| InChI | InChI=1S/C22H16O3/c23-17-11-12-18-19(13-15-7-3-1-4-8-15)21(16-9-5-2-6-10-16)22(24)25-20(18)14-17/h1-12,14,23H,13H2 |
| InChIKey | UDGDPGYTQSJHSS-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 | L5nBn2gGWPX |
|---|---|
| Name | 4-Benzyl-7-hydroxy-3-phenylcoumarin |
| 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/c23-17-11-12-18-19(13-15-7-3-1-4-8-15)21(16-9-5-2-6-10-16)22(24)25-20(18)14-17/h1-12,14,23H,13H2 |
| InChIKey | UDGDPGYTQSJHSS-UHFFFAOYSA-N |
| Molecular Weight | 328.367 g/mol |
| SMILES | C1(=CC=CC=C1)C1=C(CC2=CC=CC=C2)C2=CC=C(C=C2OC1=O)O |