| SpectraBase Compound ID | KSAUn2OPLWl |
|---|---|
| InChI | InChI=1S/C20H20O6/c1-10(2)3-4-11-7-12(5-6-13(11)21)17-9-15(23)18-14(22)8-16(24)19(25)20(18)26-17/h5-8,17,21-22,24-25H,1,3-4,9H2,2H3 |
| InChIKey | YVBUWVMMORNHHZ-UHFFFAOYSA-N |
| Mol Weight | 356.37 g/mol |
| Molecular Formula | C20H20O6 |
| Exact Mass | 356.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1JgEFFmtXce |
|---|---|
| Name | Flowerone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.125988358 u |
| Formula | C20H20O6 |
| InChI | InChI=1S/C20H20O6/c1-10(2)3-4-11-7-12(5-6-13(11)21)17-9-15(23)18-14(22)8-16(24)19(25)20(18)26-17/h5-8,17,21-22,24-25H,1,3-4,9H2,2H3 |
| InChIKey | YVBUWVMMORNHHZ-UHFFFAOYSA-N |
| Molecular Weight | 356.374 g/mol |
| SMILES | C=12C(C(=O)CC(O2)C2=CC(CCC(=C)C)=C(C=C2)O)=C(O)C=C(C1O)O |