| SpectraBase Compound ID | C5suPNShreB |
|---|---|
| InChI | InChI=1S/C13H15F3O2/c1-12(2,3)11(17)18-8-9-4-6-10(7-5-9)13(14,15)16/h4-7H,8H2,1-3H3 |
| InChIKey | CYLJUQRCUPNCST-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 | F44Zcu8b1jr |
|---|---|
| Name | 4-(Trifluoromethyl)benzyl pivalate |
| 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)11(17)18-8-9-4-6-10(7-5-9)13(14,15)16/h4-7H,8H2,1-3H3 |
| InChIKey | CYLJUQRCUPNCST-UHFFFAOYSA-N |
| Molecular Weight | 260.256 g/mol |
| SMILES | C(C1=CC=C(COC(C(C)(C)C)=O)C=C1)(F)(F)F |