| SpectraBase Compound ID | 8UnXMD222Vk |
|---|---|
| InChI | InChI=1S/C21H20O5/c1-21(2,3)20(23)26-18-11-16-14(10-17(18)24-4)19(22)15(12-25-16)13-8-6-5-7-9-13/h5-12H,1-4H3 |
| InChIKey | ZCJRRFAQCVSPPF-UHFFFAOYSA-N |
| Mol Weight | 352.39 g/mol |
| Molecular Formula | C21H20O5 |
| Exact Mass | 352.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K7waMhvvBLf |
|---|---|
| Name | 7-Hydroxy-6-methoxyisoflavone, trimethylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.131073739 u |
| Formula | C21H20O5 |
| InChI | InChI=1S/C21H20O5/c1-21(2,3)20(23)26-18-11-16-14(10-17(18)24-4)19(22)15(12-25-16)13-8-6-5-7-9-13/h5-12H,1-4H3 |
| InChIKey | ZCJRRFAQCVSPPF-UHFFFAOYSA-N |
| Molecular Weight | 352.386 g/mol |
| SMILES | C1(=CC=CC=C1)C=1C(C2=CC(=C(C=C2OC1)OC(C(C)(C)C)=O)OC)=O |