| SpectraBase Compound ID | DoDKwtsd0z3 |
|---|---|
| InChI | InChI=1S/C18H16O4/c1-3-21-15-9-6-13-10-16(18(19)22-17(13)11-15)12-4-7-14(20-2)8-5-12/h4-11H,3H2,1-2H3 |
| InChIKey | PJVVLWSZQQCBRZ-UHFFFAOYSA-N |
| Mol Weight | 296.32 g/mol |
| Molecular Formula | C18H16O4 |
| Exact Mass | 296.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2yxdiRaXqhB |
|---|---|
| Name | 7-Ethoxy-3-(4-methoxyphenyl)coumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.104858991 u |
| Formula | C18H16O4 |
| InChI | InChI=1S/C18H16O4/c1-3-21-15-9-6-13-10-16(18(19)22-17(13)11-15)12-4-7-14(20-2)8-5-12/h4-11H,3H2,1-2H3 |
| InChIKey | PJVVLWSZQQCBRZ-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)OC)C1=CC2=CC=C(C=C2OC1=O)OCC |