| SpectraBase Compound ID | 7KRxyfMhZwM |
|---|---|
| InChI | InChI=1S/C13H15F3O3/c1-12(2,3)9-7-8(5-6-10(9)18-4)19-11(17)13(14,15)16/h5-7H,1-4H3 |
| InChIKey | KWIQKAWLEDNXIT-UHFFFAOYSA-N |
| Mol Weight | 276.26 g/mol |
| Molecular Formula | C13H15F3O3 |
| Exact Mass | 276.097329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3act24IFbHk |
|---|---|
| Name | 3-(Tert-butyl)-4-methoxyphenyl 2,2,2-trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.097328829 u |
| Formula | C13H15F3O3 |
| InChI | InChI=1S/C13H15F3O3/c1-12(2,3)9-7-8(5-6-10(9)18-4)19-11(17)13(14,15)16/h5-7H,1-4H3 |
| InChIKey | KWIQKAWLEDNXIT-UHFFFAOYSA-N |
| Molecular Weight | 276.255 g/mol |
| SMILES | C1(=CC=C(C=C1C(C)(C)C)OC(C(F)(F)F)=O)OC |