| SpectraBase Compound ID | BbOI29pHcKN |
|---|---|
| InChI | InChI=1S/C18H11F3O2/c19-18(20,21)16-8-4-3-7-15(16)17(22)23-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H |
| InChIKey | DEIGGCNFFPECLS-UHFFFAOYSA-N |
| Mol Weight | 316.28 g/mol |
| Molecular Formula | C18H11F3O2 |
| Exact Mass | 316.071114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4UFgremxl7p |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, 2-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.071114081 u |
| Formula | C18H11F3O2 |
| InChI | InChI=1S/C18H11F3O2/c19-18(20,21)16-8-4-3-7-15(16)17(22)23-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H |
| InChIKey | DEIGGCNFFPECLS-UHFFFAOYSA-N |
| Molecular Weight | 316.279 g/mol |
| SMILES | C1=CC=C(C(=C1)C(OC1=CC=2C=CC=CC2C=C1)=O)C(F)(F)F |