| SpectraBase Compound ID | DXNCX4n6Wly |
|---|---|
| InChI | InChI=1S/C12H11F3O2/c13-12(14,15)10-7-2-1-6-9(10)11(16)17-8-4-3-5-8/h1-2,6-8H,3-5H2 |
| InChIKey | OEDBMPBISLOUGQ-UHFFFAOYSA-N |
| Mol Weight | 244.21 g/mol |
| Molecular Formula | C12H11F3O2 |
| Exact Mass | 244.071114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5p501rkDFPX |
|---|---|
| Name | 2-(Trifluoromethyl)benzoic acid. cyclobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.071114081 u |
| Formula | C12H11F3O2 |
| InChI | InChI=1S/C12H11F3O2/c13-12(14,15)10-7-2-1-6-9(10)11(16)17-8-4-3-5-8/h1-2,6-8H,3-5H2 |
| InChIKey | OEDBMPBISLOUGQ-UHFFFAOYSA-N |
| Molecular Weight | 244.213 g/mol |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)C(OC1CCC1)=O |