| SpectraBase Compound ID | GZ49TI4DoUj |
|---|---|
| InChI | InChI=1S/C12H11F5O2/c1-4(2)5(3)19-12(18)6-7(13)9(15)11(17)10(16)8(6)14/h4-5H,1-3H3 |
| InChIKey | WYIQGISADCVNPE-UHFFFAOYSA-N |
| Mol Weight | 282.21 g/mol |
| Molecular Formula | C12H11F5O2 |
| Exact Mass | 282.06792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Xz0MvSRXD |
|---|---|
| Name | 3-Methylbutan-2-yl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.067920407 u |
| Formula | C12H11F5O2 |
| InChI | InChI=1S/C12H11F5O2/c1-4(2)5(3)19-12(18)6-7(13)9(15)11(17)10(16)8(6)14/h4-5H,1-3H3 |
| InChIKey | WYIQGISADCVNPE-UHFFFAOYSA-N |
| Molecular Weight | 282.210 g/mol |
| SMILES | C(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)OC(C)C(C)C |