| SpectraBase Compound ID | 4QAg4e1OoLC |
|---|---|
| InChI | InChI=1S/C13H13F3O2/c1-9(2)7-8-18-12(17)10-5-3-4-6-11(10)13(14,15)16/h3-7H,8H2,1-2H3 |
| InChIKey | KUVKLHLBMNFBND-UHFFFAOYSA-N |
| Mol Weight | 258.24 g/mol |
| Molecular Formula | C13H13F3O2 |
| Exact Mass | 258.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 376wvI95Z4D |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, 3-methylbut-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.086764146 u |
| Formula | C13H13F3O2 |
| InChI | InChI=1S/C13H13F3O2/c1-9(2)7-8-18-12(17)10-5-3-4-6-11(10)13(14,15)16/h3-7H,8H2,1-2H3 |
| InChIKey | KUVKLHLBMNFBND-UHFFFAOYSA-N |
| Molecular Weight | 258.240 g/mol |
| SMILES | C1=CC=C(C(=C1)C(=O)OCC=C(C)C)C(F)(F)F |