| SpectraBase Compound ID | 5KhvpnyqP98 |
|---|---|
| InChI | InChI=1S/C20H16O6/c1-20(2)4-3-10-5-11(6-15(24)19(10)26-20)16-9-14(23)18-13(22)7-12(21)8-17(18)25-16/h3-9,21-22,24H,1-2H3 |
| InChIKey | FIKLOAGOJKGOFT-UHFFFAOYSA-N |
| Mol Weight | 352.34 g/mol |
| Molecular Formula | C20H16O6 |
| Exact Mass | 352.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BJUDxujhq0q |
|---|---|
| Name | Yinyanghuo E |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.094688229 u |
| Formula | C20H16O6 |
| InChI | InChI=1S/C20H16O6/c1-20(2)4-3-10-5-11(6-15(24)19(10)26-20)16-9-14(23)18-13(22)7-12(21)8-17(18)25-16/h3-9,21-22,24H,1-2H3 |
| InChIKey | FIKLOAGOJKGOFT-UHFFFAOYSA-N |
| Molecular Weight | 352.342 g/mol |
| SMILES | C1=2C(C=C(OC2C=C(C=C1O)O)C=1C=C2C=CC(OC2=C(C1)O)(C)C)=O |