| SpectraBase Compound ID | J4MsgUWXbWA |
|---|---|
| InChI | InChI=1S/C13H15F3O2/c1-9(2)7-8-18-12(17)10-5-3-4-6-11(10)13(14,15)16/h3-6,9H,7-8H2,1-2H3 |
| InChIKey | BQOOQUDGHPAWEX-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 | Fe8Vk7N12Qk |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, 3-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/c1-9(2)7-8-18-12(17)10-5-3-4-6-11(10)13(14,15)16/h3-6,9H,7-8H2,1-2H3 |
| InChIKey | BQOOQUDGHPAWEX-UHFFFAOYSA-N |
| Molecular Weight | 260.256 g/mol |
| SMILES | C1=CC=CC(=C1C(=O)OCCC(C)C)C(F)(F)F |