| SpectraBase Compound ID | 91H9QHb2SpP |
|---|---|
| InChI | InChI=1S/C18H13F3O4/c1-24-15-9-5-8-13(16(15)25-17(23)18(19,20)21)10-11-14(22)12-6-3-2-4-7-12/h2-11H,1H3/b11-10+ |
| InChIKey | DODKOYQCXGEOTG-ZHACJKMWSA-N |
| Mol Weight | 350.29 g/mol |
| Molecular Formula | C18H13F3O4 |
| Exact Mass | 350.076593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rcZWKTpBtI |
|---|---|
| Name | 2-Hydroxy-3-methoxychalcone, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.076593384 u |
| Formula | C18H13F3O4 |
| InChI | InChI=1S/C18H13F3O4/c1-24-15-9-5-8-13(16(15)25-17(23)18(19,20)21)10-11-14(22)12-6-3-2-4-7-12/h2-11H,1H3/b11-10+ |
| InChIKey | DODKOYQCXGEOTG-ZHACJKMWSA-N |
| Molecular Weight | 350.293 g/mol |
| SMILES | C1(=CC=CC=C1)C(\C=C\C1=C(C(=CC=C1)OC)OC(C(F)(F)F)=O)=O |