| SpectraBase Compound ID | FzTWUrheKpe |
|---|---|
| InChI | InChI=1S/C18H13F3O4/c1-24-14-8-5-9-15(25-17(23)18(19,20)21)16(14)13(22)11-10-12-6-3-2-4-7-12/h2-11H,1H3/b11-10+ |
| InChIKey | CDMQTPITEFQEGZ-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 | CmcBN7ehboo |
|---|---|
| Name | 2'-Hydroxy-6'-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/c1-24-14-8-5-9-15(25-17(23)18(19,20)21)16(14)13(22)11-10-12-6-3-2-4-7-12/h2-11H,1H3/b11-10+ |
| InChIKey | CDMQTPITEFQEGZ-ZHACJKMWSA-N |
| Molecular Weight | 350.293 g/mol |
| SMILES | C1(=C(C=CC=C1OC(C(F)(F)F)=O)OC)C(\C=C\C1=CC=CC=C1)=O |