| SpectraBase Compound ID | BL4h64R6NFu |
|---|---|
| InChI | InChI=1S/C16H12O6/c1-21-9-3-4-10-13(7-9)22-16(15(20)14(10)19)8-2-5-11(17)12(18)6-8/h2-7,17-18,20H,1H3 |
| InChIKey | JQURQUMMDFKDOK-UHFFFAOYSA-N |
| Mol Weight | 300.27 g/mol |
| Molecular Formula | C16H12O6 |
| Exact Mass | 300.063388 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E2cPxW4oKtD |
|---|---|
| Name | 3-Hydroxy-2-(3,4-dihydroxyphenyl)-7-methoxy-4H-chromen-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.063388100 u |
| Formula | C16H12O6 |
| InChI | InChI=1S/C16H12O6/c1-21-9-3-4-10-13(7-9)22-16(15(20)14(10)19)8-2-5-11(17)12(18)6-8/h2-7,17-18,20H,1H3 |
| InChIKey | JQURQUMMDFKDOK-UHFFFAOYSA-N |
| SMILES | C12=C(OC(=C(C2=O)O)C2=CC(=C(O)C=C2)O)C=C(C=C1)OC |