| SpectraBase Compound ID | HZcjbbGE7Hb |
|---|---|
| InChI | InChI=1S/C17H11F3O4/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/h1-8,15H,9H2 |
| InChIKey | IGLOSYDOJMVLDO-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 | C1fDXso8aBG |
|---|---|
| Name | 4'-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)23-11-7-5-10(6-8-11)15-9-13(21)12-3-1-2-4-14(12)24-15/h1-8,15H,9H2 |
| InChIKey | IGLOSYDOJMVLDO-UHFFFAOYSA-N |
| Molecular Weight | 336.266 g/mol |
| SMILES | C1(OC2=C(C(C1)=O)C=CC=C2)C1=CC=C(OC(C(F)(F)F)=O)C=C1 |