| SpectraBase Compound ID | 90J3wgk7rHH |
|---|---|
| InChI | InChI=1S/C17H9F3O4/c1-8-6-11-13(12(7-8)24-16(23)17(18,19)20)15(22)10-5-3-2-4-9(10)14(11)21/h2-7H,1H3 |
| InChIKey | UVLLPAFRTMXELB-UHFFFAOYSA-N |
| Mol Weight | 334.25 g/mol |
| Molecular Formula | C17H9F3O4 |
| Exact Mass | 334.045293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E6yHivEnKzQ |
|---|---|
| Name | 1-Hydroxy-3-methylanthraquinone, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.045293255 u |
| Formula | C17H9F3O4 |
| InChI | InChI=1S/C17H9F3O4/c1-8-6-11-13(12(7-8)24-16(23)17(18,19)20)15(22)10-5-3-2-4-9(10)14(11)21/h2-7H,1H3 |
| InChIKey | UVLLPAFRTMXELB-UHFFFAOYSA-N |
| Molecular Weight | 334.250 g/mol |
| SMILES | C1(OC(C(F)(F)F)=O)=C2C(=CC(=C1)C)C(=O)C=1C(C2=O)=CC=CC1 |