| SpectraBase Compound ID | B1XQtO1cA9s |
|---|---|
| InChI | InChI=1S/C13H15F3O2/c1-3-4-9(2)18-12(17)10-5-7-11(8-6-10)13(14,15)16/h5-9H,3-4H2,1-2H3 |
| InChIKey | SHJKPTBDBXGWHL-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 | RagdrhzlWv |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, 2-pentyl 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/c1-3-4-9(2)18-12(17)10-5-7-11(8-6-10)13(14,15)16/h5-9H,3-4H2,1-2H3 |
| InChIKey | SHJKPTBDBXGWHL-UHFFFAOYSA-N |
| Molecular Weight | 260.256 g/mol |
| SMILES | CC(CCC)OC(=O)C1=CC=C(C(F)(F)F)C=C1 |