| SpectraBase Compound ID | KDpdCNUbmOS |
|---|---|
| InChI | InChI=1S/C21H20O4/c1-3-4-13-24-21(23)17-12-8-11-16-18(22)14(2)19(25-20(16)17)15-9-6-5-7-10-15/h5-12H,3-4,13H2,1-2H3 |
| InChIKey | OEYQQIYUBIKFBQ-UHFFFAOYSA-N |
| Mol Weight | 336.39 g/mol |
| Molecular Formula | C21H20O4 |
| Exact Mass | 336.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 75X0wPKnlkw |
|---|---|
| Name | 8-Carboxy-3-methylflavone, N-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.136159120 u |
| Formula | C21H20O4 |
| InChI | InChI=1S/C21H20O4/c1-3-4-13-24-21(23)17-12-8-11-16-18(22)14(2)19(25-20(16)17)15-9-6-5-7-10-15/h5-12H,3-4,13H2,1-2H3 |
| InChIKey | OEYQQIYUBIKFBQ-UHFFFAOYSA-N |
| Molecular Weight | 336.387 g/mol |
| SMILES | C1=CC=CC=C1C1=C(C)C(C2=C(C(=CC=C2)C(OCCCC)=O)O1)=O |