| SpectraBase Compound ID | JnBO68lEFPs |
|---|---|
| InChI | InChI=1S/C18H11ClF2O4/c1-10-7-12(24-17(23)18(19,20)21)8-15-16(10)13(22)9-14(25-15)11-5-3-2-4-6-11/h2-9H,1H3 |
| InChIKey | OQWLNLHNPRCHMA-UHFFFAOYSA-N |
| Mol Weight | 364.73 g/mol |
| Molecular Formula | C18H11ClF2O4 |
| Exact Mass | 364.031393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 35vUuWCmUKs |
|---|---|
| Name | 7-Hydroxy-5-methylflavone, chlorodifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.031392856 u |
| Formula | C18H11ClF2O4 |
| InChI | InChI=1S/C18H11ClF2O4/c1-10-7-12(24-17(23)18(19,20)21)8-15-16(10)13(22)9-14(25-15)11-5-3-2-4-6-11/h2-9H,1H3 |
| InChIKey | OQWLNLHNPRCHMA-UHFFFAOYSA-N |
| Molecular Weight | 364.732 g/mol |
| SMILES | C1=C(C=CC=C1)C1=CC(C2=C(C=C(C=C2O1)OC(C(F)(F)Cl)=O)C)=O |