| SpectraBase Compound ID | 5j2AYFRgNA3 |
|---|---|
| InChI | InChI=1S/C12H4F12O3/c13-3-4(14)6(16)8(7(17)5(3)15)26-1-2-27-9(25)10(18,19)11(20,21)12(22,23)24/h1-2H2 |
| InChIKey | OZLQPLGUNCADBS-UHFFFAOYSA-N |
| Mol Weight | 424.14 g/mol |
| Molecular Formula | C12H4F12O3 |
| Exact Mass | 423.996882 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 54UeFBvUduV |
|---|---|
| Name | 2-(Pentafluorophenoxy)ethanol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 423.996881942 u |
| Formula | C12H4F12O3 |
| InChI | InChI=1S/C12H4F12O3/c13-3-4(14)6(16)8(7(17)5(3)15)26-1-2-27-9(25)10(18,19)11(20,21)12(22,23)24/h1-2H2 |
| InChIKey | OZLQPLGUNCADBS-UHFFFAOYSA-N |
| Molecular Weight | 424.142 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)OCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |