| SpectraBase Compound ID | 8DC4yVDyaPB |
|---|---|
| InChI | InChI=1S/C22H22O4/c1-3-4-8-14-25-22(24)18-13-9-12-17-19(23)15(2)20(26-21(17)18)16-10-6-5-7-11-16/h5-7,9-13H,3-4,8,14H2,1-2H3 |
| InChIKey | QUFKLQXXBIOGIG-UHFFFAOYSA-N |
| Mol Weight | 350.41 g/mol |
| Molecular Formula | C22H22O4 |
| Exact Mass | 350.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BrX0q0NIMFQ |
|---|---|
| Name | 8-Carboxy-3-methylflavone, N-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.151809184 u |
| Formula | C22H22O4 |
| InChI | InChI=1S/C22H22O4/c1-3-4-8-14-25-22(24)18-13-9-12-17-19(23)15(2)20(26-21(17)18)16-10-6-5-7-11-16/h5-7,9-13H,3-4,8,14H2,1-2H3 |
| InChIKey | QUFKLQXXBIOGIG-UHFFFAOYSA-N |
| Molecular Weight | 350.414 g/mol |
| SMILES | C1=CC=CC=C1C1=C(C)C(C2=C(C(=CC=C2)C(OCCCCC)=O)O1)=O |