| SpectraBase Compound ID | GikUof6D3if |
|---|---|
| InChI | InChI=1S/C13H15F3O2/c1-2-3-4-10-5-7-11(8-6-10)12(17)18-9-13(14,15)16/h5-8H,2-4,9H2,1H3 |
| InChIKey | GNZQCYIEUYRQEF-UHFFFAOYSA-N |
| Mol Weight | 260.26 g/mol |
| Molecular Formula | C13H15F3O2 |
| Exact Mass | 260.102414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5jeXny82urC |
|---|---|
| Name | 4-Butylbenzoic acid, 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.102414210 u |
| Formula | C13H15F3O2 |
| InChI | InChI=1S/C13H15F3O2/c1-2-3-4-10-5-7-11(8-6-10)12(17)18-9-13(14,15)16/h5-8H,2-4,9H2,1H3 |
| InChIKey | GNZQCYIEUYRQEF-UHFFFAOYSA-N |
| Molecular Weight | 260.256 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC(F)(F)F)=O)CCCC |