| SpectraBase Compound ID | ETNm1iVkc1D |
|---|---|
| InChI | InChI=1S/C13H15F3O2/c1-3-9(2)8-18-12(17)10-6-4-5-7-11(10)13(14,15)16/h4-7,9H,3,8H2,1-2H3 |
| InChIKey | XZVNQFGDIHCCBU-UHFFFAOYSA-N |
| Mol Weight | 260.26 g/mol |
| Molecular Formula | C13H15F3O2 |
| Exact Mass | 260.102414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ASrODOeBWBe |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, 2-methylbutyl 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/c1-3-9(2)8-18-12(17)10-6-4-5-7-11(10)13(14,15)16/h4-7,9H,3,8H2,1-2H3 |
| InChIKey | XZVNQFGDIHCCBU-UHFFFAOYSA-N |
| Molecular Weight | 260.256 g/mol |
| SMILES | C1(=CC=CC=C1C(=O)OCC(CC)C)C(F)(F)F |