| SpectraBase Compound ID | ICekrRU0kko |
|---|---|
| InChI | InChI=1S/C20H18O5/c1-12(2)20(22)25-18-10-16-14(9-17(18)23-3)19(21)15(11-24-16)13-7-5-4-6-8-13/h4-12H,1-3H3 |
| InChIKey | XFSHIFDKAGTASL-UHFFFAOYSA-N |
| Mol Weight | 338.36 g/mol |
| Molecular Formula | C20H18O5 |
| Exact Mass | 338.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3F1Uq10mn6Y |
|---|---|
| Name | 7-Hydroxy-6-methoxyisoflavone, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.115423675 u |
| Formula | C20H18O5 |
| InChI | InChI=1S/C20H18O5/c1-12(2)20(22)25-18-10-16-14(9-17(18)23-3)19(21)15(11-24-16)13-7-5-4-6-8-13/h4-12H,1-3H3 |
| InChIKey | XFSHIFDKAGTASL-UHFFFAOYSA-N |
| Molecular Weight | 338.359 g/mol |
| SMILES | C1(=CC=CC=C1)C=1C(C2=CC(=C(C=C2OC1)OC(C(C)C)=O)OC)=O |