| SpectraBase Compound ID | 9goD7PCgHWh |
|---|---|
| InChI | InChI=1S/C21H20O4/c1-13(2)12-24-21(23)17-11-7-10-16-18(22)14(3)19(25-20(16)17)15-8-5-4-6-9-15/h4-11,13H,12H2,1-3H3 |
| InChIKey | UKMWPQJTZSKDNN-UHFFFAOYSA-N |
| Mol Weight | 336.39 g/mol |
| Molecular Formula | C21H20O4 |
| Exact Mass | 336.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | L5ppOKgYiNJ |
|---|---|
| Name | 8-Carboxy-3-methylflavone, 2-methylpropyl 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/c1-13(2)12-24-21(23)17-11-7-10-16-18(22)14(3)19(25-20(16)17)15-8-5-4-6-9-15/h4-11,13H,12H2,1-3H3 |
| InChIKey | UKMWPQJTZSKDNN-UHFFFAOYSA-N |
| Molecular Weight | 336.387 g/mol |
| SMILES | C1=CC=CC=C1C1=C(C)C(C2=C(C(=CC=C2)C(OCC(C)C)=O)O1)=O |