| SpectraBase Compound ID | AlcUJ0zVQhP |
|---|---|
| InChI | InChI=1S/C23H18O3/c1-25-18-12-13-19-20(14-16-8-4-2-5-9-16)22(17-10-6-3-7-11-17)23(24)26-21(19)15-18/h2-13,15H,14H2,1H3 |
| InChIKey | SQOPTEYIGFLSJV-UHFFFAOYSA-N |
| Mol Weight | 342.39 g/mol |
| Molecular Formula | C23H18O3 |
| Exact Mass | 342.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JvgqxyYLEC7 |
|---|---|
| Name | 4-Benzyl-7-methoxy-3-phenylcoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.125594437 u |
| Formula | C23H18O3 |
| InChI | InChI=1S/C23H18O3/c1-25-18-12-13-19-20(14-16-8-4-2-5-9-16)22(17-10-6-3-7-11-17)23(24)26-21(19)15-18/h2-13,15H,14H2,1H3 |
| InChIKey | SQOPTEYIGFLSJV-UHFFFAOYSA-N |
| Molecular Weight | 342.394 g/mol |
| SMILES | C1=CC=CC(=C1)CC1=C(C2=CC=CC=C2)C(=O)OC2=CC(=CC=C12)OC |