| SpectraBase Compound ID | I2q6w0ss5FN |
|---|---|
| InChI | InChI=1S/C17H11F3O2/c18-17(19,20)10-22-16(21)15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2 |
| InChIKey | ZPBHRKXODFFHOM-UHFFFAOYSA-N |
| Mol Weight | 304.27 g/mol |
| Molecular Formula | C17H11F3O2 |
| Exact Mass | 304.071114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HtoRJTOpb1E |
|---|---|
| Name | Anthracene-9-carboxylic acid, 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.071114081 u |
| Formula | C17H11F3O2 |
| InChI | InChI=1S/C17H11F3O2/c18-17(19,20)10-22-16(21)15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2 |
| InChIKey | ZPBHRKXODFFHOM-UHFFFAOYSA-N |
| Molecular Weight | 304.268 g/mol |
| SMILES | C1=CC2=C(C3=CC=CC=C3C=C2C=C1)C(=O)OCC(F)(F)F |