| SpectraBase Compound ID | 2H330a49FrP |
|---|---|
| InChI | InChI=1S/C19H16O6/c1-11(20)25-17-9-14(23-3)8-16-18(17)19(21)15(10-24-16)12-4-6-13(22-2)7-5-12/h4-10H,1-3H3 |
| InChIKey | XGUQUWHMMTZGML-UHFFFAOYSA-N |
| Mol Weight | 340.33 g/mol |
| Molecular Formula | C19H16O6 |
| Exact Mass | 340.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4BTjirM8WSM |
|---|---|
| Name | 7,4'-Dimethoxy-5-hydroxyisoflavone, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.094688229 u |
| Formula | C19H16O6 |
| InChI | InChI=1S/C19H16O6/c1-11(20)25-17-9-14(23-3)8-16-18(17)19(21)15(10-24-16)12-4-6-13(22-2)7-5-12/h4-10H,1-3H3 |
| InChIKey | XGUQUWHMMTZGML-UHFFFAOYSA-N |
| Molecular Weight | 340.331 g/mol |
| SMILES | C1(=CC=C(C=C1)OC)C=1C(=O)C2=C(C=C(C=C2OC1)OC)OC(C)=O |