| SpectraBase Compound ID | 94lsZtuT1qM |
|---|---|
| InChI | InChI=1S/C20H18O4/c1-3-12-23-20(22)16-11-7-10-15-17(21)13(2)18(24-19(15)16)14-8-5-4-6-9-14/h4-11H,3,12H2,1-2H3 |
| InChIKey | PSQLIDMKCJJIDF-UHFFFAOYSA-N |
| Mol Weight | 322.36 g/mol |
| Molecular Formula | C20H18O4 |
| Exact Mass | 322.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6WDde0YR0lt |
|---|---|
| Name | 8-Carboxy-3-methylflavone, N-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.120509056 u |
| Formula | C20H18O4 |
| InChI | InChI=1S/C20H18O4/c1-3-12-23-20(22)16-11-7-10-15-17(21)13(2)18(24-19(15)16)14-8-5-4-6-9-14/h4-11H,3,12H2,1-2H3 |
| InChIKey | PSQLIDMKCJJIDF-UHFFFAOYSA-N |
| Molecular Weight | 322.360 g/mol |
| SMILES | C1=CC=CC=C1C1=C(C)C(C2=C(C(=CC=C2)C(OCCC)=O)O1)=O |