| SpectraBase Compound ID | 9cM2p50CRk0 |
|---|---|
| InChI | InChI=1S/C17H11F3O2/c18-17(19,20)10-22-16(21)15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-9H,10H2 |
| InChIKey | KZLSOITWAUDUMT-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 | LHP3B1Xwn0z |
|---|---|
| Name | 9-Phenanthroic 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)15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-9H,10H2 |
| InChIKey | KZLSOITWAUDUMT-UHFFFAOYSA-N |
| Molecular Weight | 304.268 g/mol |
| SMILES | C1=C(C2=CC=CC=C2C2=C1C=CC=C2)C(=O)OCC(F)(F)F |