| SpectraBase Compound ID | 8mkcwpjCCWE |
|---|---|
| InChI | InChI=1S/C13H15F3O2/c1-8(2)9(3)18-12(17)10-5-4-6-11(7-10)13(14,15)16/h4-9H,1-3H3 |
| InChIKey | FTQWVKYCCYWCIQ-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 | ASTOzQ1TTds |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, 3-methylbut-2-yl 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/c1-8(2)9(3)18-12(17)10-5-4-6-11(7-10)13(14,15)16/h4-9H,1-3H3 |
| InChIKey | FTQWVKYCCYWCIQ-UHFFFAOYSA-N |
| Molecular Weight | 260.256 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)OC(C(C)C)C)C(F)(F)F |