| SpectraBase Compound ID | 3XZuO10pB2f |
|---|---|
| InChI | InChI=1S/C17H9ClF2O4/c18-17(19,20)16(22)23-11-7-5-10(6-8-11)15-9-13(21)12-3-1-2-4-14(12)24-15/h1-9H |
| InChIKey | BWJMZBQKEGFMAV-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 | 3vR0AoweTxF |
|---|---|
| Name | 4'-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)23-11-7-5-10(6-8-11)15-9-13(21)12-3-1-2-4-14(12)24-15/h1-9H |
| InChIKey | BWJMZBQKEGFMAV-UHFFFAOYSA-N |
| Molecular Weight | 350.705 g/mol |
| SMILES | C1=C(C=CC(=C1)OC(C(F)(F)Cl)=O)C1=CC(C2=CC=CC=C2O1)=O |