| SpectraBase Compound ID | FtNUujSHyqi |
|---|---|
| InChI | InChI=1S/C19H16O5/c1-12-4-3-5-17(24-13(2)20)19(12)15(21)8-6-14-7-9-16-18(10-14)23-11-22-16/h3-10H,11H2,1-2H3/b8-6+ |
| InChIKey | WXGFOBUJBJXIKU-SOFGYWHQSA-N |
| Mol Weight | 324.33 g/mol |
| Molecular Formula | C19H16O5 |
| Exact Mass | 324.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7oIhefPSAxw |
|---|---|
| Name | 2'-(Acetyl)oxy-6'-methyl-3,4-methylenedioxychalcone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.099773610 u |
| Formula | C19H16O5 |
| InChI | InChI=1S/C19H16O5/c1-12-4-3-5-17(24-13(2)20)19(12)15(21)8-6-14-7-9-16-18(10-14)23-11-22-16/h3-10H,11H2,1-2H3/b8-6+ |
| InChIKey | WXGFOBUJBJXIKU-SOFGYWHQSA-N |
| Molecular Weight | 324.332 g/mol |
| SMILES | C1(=C(C=CC=C1OC(C)=O)C)C(\C=C\C1=CC2=C(C=C1)OCO2)=O |