| SpectraBase Compound ID | 3yy2Q8bmOLF |
|---|---|
| InChI | InChI=1S/C17H11F3O4/c18-17(19,20)16(22)23-11-6-7-12-13(21)9-14(24-15(12)8-11)10-4-2-1-3-5-10/h1-8,14H,9H2 |
| InChIKey | IZXPCJASCZTCJZ-UHFFFAOYSA-N |
| Mol Weight | 336.27 g/mol |
| Molecular Formula | C17H11F3O4 |
| Exact Mass | 336.060943 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87MqDR8SNEG |
|---|---|
| Name | 7-Hydroxyflavanone, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.060943319 u |
| Formula | C17H11F3O4 |
| InChI | InChI=1S/C17H11F3O4/c18-17(19,20)16(22)23-11-6-7-12-13(21)9-14(24-15(12)8-11)10-4-2-1-3-5-10/h1-8,14H,9H2 |
| InChIKey | IZXPCJASCZTCJZ-UHFFFAOYSA-N |
| Molecular Weight | 336.266 g/mol |
| SMILES | C1=C(C=CC=C1)C1CC(C2=CC=C(C=C2O1)OC(C(F)(F)F)=O)=O |