| SpectraBase Compound ID | LEoddSTOdGR |
|---|---|
| InChI | InChI=1S/C13H15F3O2/c1-12(2,3)8-18-11(17)9-6-4-5-7-10(9)13(14,15)16/h4-7H,8H2,1-3H3 |
| InChIKey | RKMZKHYWIMDJIP-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 | BgZyYE3SWh3 |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, 2,2-dimethylpropyl 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/c1-12(2,3)8-18-11(17)9-6-4-5-7-10(9)13(14,15)16/h4-7H,8H2,1-3H3 |
| InChIKey | RKMZKHYWIMDJIP-UHFFFAOYSA-N |
| Molecular Weight | 260.256 g/mol |
| SMILES | C1=CC=C(C(=C1)C(OCC(C)(C)C)=O)C(F)(F)F |