| SpectraBase Compound ID | 5FIUcEZqk1I |
|---|---|
| InChI | InChI=1S/C12H11F5O3/c1-5(2)12(18)20-4-3-19-11-9(16)7(14)6(13)8(15)10(11)17/h5H,3-4H2,1-2H3 |
| InChIKey | CXXCMHPODZGQGD-UHFFFAOYSA-N |
| Mol Weight | 298.21 g/mol |
| Molecular Formula | C12H11F5O3 |
| Exact Mass | 298.062835 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2UMY7zHyhQK |
|---|---|
| Name | 2-(Pentafluorophenoxy)ethanol, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.062835026 u |
| Formula | C12H11F5O3 |
| InChI | InChI=1S/C12H11F5O3/c1-5(2)12(18)20-4-3-19-11-9(16)7(14)6(13)8(15)10(11)17/h5H,3-4H2,1-2H3 |
| InChIKey | CXXCMHPODZGQGD-UHFFFAOYSA-N |
| Molecular Weight | 298.209 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)OCCOC(C(C)C)=O |