| SpectraBase Compound ID | BY95SkavLYU |
|---|---|
| InChI | InChI=1S/C17H9ClF2O4/c18-17(19,20)16(22)24-11-6-7-12-14(8-11)23-9-13(15(12)21)10-4-2-1-3-5-10/h1-9H |
| InChIKey | AFQVNQMYDAGKCJ-UHFFFAOYSA-N |
| Mol Weight | 350.7 g/mol |
| Molecular Formula | C17H9ClF2O4 |
| Exact Mass | 350.015743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LRspbmKM3iK |
|---|---|
| Name | 7-Hydroxyisoflavone, 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)24-11-6-7-12-14(8-11)23-9-13(15(12)21)10-4-2-1-3-5-10/h1-9H |
| InChIKey | AFQVNQMYDAGKCJ-UHFFFAOYSA-N |
| Molecular Weight | 350.705 g/mol |
| SMILES | C1(=CC=CC=C1)C=1C(=O)C2=CC=C(C=C2OC1)OC(C(F)(F)Cl)=O |