| SpectraBase Compound ID | H9ZaeunL47s |
|---|---|
| InChI | InChI=1S/C18H11F3O4/c1-10-2-7-15-13(8-10)14(22)9-16(25-15)11-3-5-12(6-4-11)24-17(23)18(19,20)21/h2-9H,1H3 |
| InChIKey | AOHZOINUIPFJNF-UHFFFAOYSA-N |
| Mol Weight | 348.28 g/mol |
| Molecular Formula | C18H11F3O4 |
| Exact Mass | 348.060943 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8nRZWR7nOzl |
|---|---|
| Name | 4'-Hydroxy-6-methylflavone, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.060943319 u |
| Formula | C18H11F3O4 |
| InChI | InChI=1S/C18H11F3O4/c1-10-2-7-15-13(8-10)14(22)9-16(25-15)11-3-5-12(6-4-11)24-17(23)18(19,20)21/h2-9H,1H3 |
| InChIKey | AOHZOINUIPFJNF-UHFFFAOYSA-N |
| Molecular Weight | 348.277 g/mol |
| SMILES | C1=C(C=CC(=C1)OC(C(F)(F)F)=O)C1=CC(C2=CC(=CC=C2O1)C)=O |