| SpectraBase Compound ID | DSKvWEOSuHT |
|---|---|
| InChI | InChI=1S/C16H12O6/c1-7-10(18)5-14-15(16(7)21)12(20)6-13(22-14)8-2-3-9(17)11(19)4-8/h2-6,17-19,21H,1H3 |
| InChIKey | VSHICDFQSGJNPK-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 | 3DYUIr7yrBU |
|---|---|
| Name | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methyl-1-benzopyran-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/c1-7-10(18)5-14-15(16(7)21)12(20)6-13(22-14)8-2-3-9(17)11(19)4-8/h2-6,17-19,21H,1H3 |
| InChIKey | VSHICDFQSGJNPK-UHFFFAOYSA-N |
| SMILES | C1=2C(C=C(OC2C=C(O)C(=C1O)C)C=1C=C(O)C(=CC1)O)=O |