| SpectraBase Compound ID | JGZRherJCnO |
|---|---|
| InChI | InChI=1S/C18H12O6/c1-10(19)24-12-3-4-13-16(7-12)21-8-14(18(13)20)11-2-5-15-17(6-11)23-9-22-15/h2-8H,9H2,1H3 |
| InChIKey | GECGOSYEOUVXKB-UHFFFAOYSA-N |
| Mol Weight | 324.29 g/mol |
| Molecular Formula | C18H12O6 |
| Exact Mass | 324.063388 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C4HVZs0fUjz |
|---|---|
| Name | 7-Acetoxy-3-(3,4-methylenedioxyphenyl)-4H-chromen-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.063388100 u |
| Formula | C18H12O6 |
| InChI | InChI=1S/C18H12O6/c1-10(19)24-12-3-4-13-16(7-12)21-8-14(18(13)20)11-2-5-15-17(6-11)23-9-22-15/h2-8H,9H2,1H3 |
| InChIKey | GECGOSYEOUVXKB-UHFFFAOYSA-N |
| Molecular Weight | 324.288 g/mol |
| SMILES | C12=C(OC=C(C2=O)C2=CC3=C(C=C2)OCO3)C=C(C=C1)OC(C)=O |