| SpectraBase Compound ID | 7bKs4hWQIJu |
|---|---|
| InChI | InChI=1S/C17H9ClF2O4/c18-17(19,20)16(22)24-13-8-4-7-12-15(13)11(21)9-14(23-12)10-5-2-1-3-6-10/h1-9H |
| InChIKey | DSWZQXOJJVXTOD-UHFFFAOYSA-N |
| Mol Weight | 350.7 g/mol |
| Molecular Formula | C17H9ClF2O4 |
| Exact Mass | 350.015743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A3xst1rERBa |
|---|---|
| Name | 5-Hydroxyflavone, chlorodifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.015742792 u |
| Formula | C17H9ClF2O4 |
| InChI | InChI=1S/C17H9ClF2O4/c18-17(19,20)16(22)24-13-8-4-7-12-15(13)11(21)9-14(23-12)10-5-2-1-3-6-10/h1-9H |
| InChIKey | DSWZQXOJJVXTOD-UHFFFAOYSA-N |
| Molecular Weight | 350.705 g/mol |
| SMILES | C1=C(C=CC=C1)C1=CC(C2=C(C=CC=C2O1)OC(C(F)(F)Cl)=O)=O |