| SpectraBase Compound ID | 3jFyf22TOBj |
|---|---|
| InChI | InChI=1S/C18H13F3O4/c1-24-13-6-4-5-12(11-13)9-10-15(22)14-7-2-3-8-16(14)25-17(23)18(19,20)21/h2-11H,1H3/b10-9+ |
| InChIKey | WPMYUWLTQKHUSC-MDZDMXLPSA-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 | 1JUWePSceEw |
|---|---|
| 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/c1-24-13-6-4-5-12(11-13)9-10-15(22)14-7-2-3-8-16(14)25-17(23)18(19,20)21/h2-11H,1H3/b10-9+ |
| InChIKey | WPMYUWLTQKHUSC-MDZDMXLPSA-N |
| Molecular Weight | 350.293 g/mol |
| SMILES | C1(=CC=CC=C1OC(C(F)(F)F)=O)C(\C=C\C1=CC=CC(=C1)OC)=O |