| SpectraBase Compound ID | 7TNI5Z6CPfe |
|---|---|
| InChI | InChI=1S/C16H7F3O4/c17-16(18,19)15(22)23-11-7-3-6-10-12(11)14(21)9-5-2-1-4-8(9)13(10)20/h1-7H |
| InChIKey | VYPGTOJUEAOPAJ-UHFFFAOYSA-N |
| Mol Weight | 320.22 g/mol |
| Molecular Formula | C16H7F3O4 |
| Exact Mass | 320.029643 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LpwSSyCPP1R |
|---|---|
| Name | 1-Hydroxyanthraquinone, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.029643190 u |
| Formula | C16H7F3O4 |
| InChI | InChI=1S/C16H7F3O4/c17-16(18,19)15(22)23-11-7-3-6-10-12(11)14(21)9-5-2-1-4-8(9)13(10)20/h1-7H |
| InChIKey | VYPGTOJUEAOPAJ-UHFFFAOYSA-N |
| Molecular Weight | 320.223 g/mol |
| SMILES | C1(OC(C(F)(F)F)=O)=C2C(=CC=C1)C(=O)C=1C(C2=O)=CC=CC1 |