| SpectraBase Compound ID | 7XvXWw0D9RU |
|---|---|
| InChI | InChI=1S/C11H4F10O3/c12-3-4(13)6(15)8(7(16)5(3)14)23-1-2-24-9(22)10(17,18)11(19,20)21/h1-2H2 |
| InChIKey | MXYICOZLRXPIIQ-UHFFFAOYSA-N |
| Mol Weight | 374.13 g/mol |
| Molecular Formula | C11H4F10O3 |
| Exact Mass | 374.000076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G2CeZqfoE8g |
|---|---|
| Name | 2-(Pentafluorophenoxy)ethanol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.000075616 u |
| Formula | C11H4F10O3 |
| InChI | InChI=1S/C11H4F10O3/c12-3-4(13)6(15)8(7(16)5(3)14)23-1-2-24-9(22)10(17,18)11(19,20)21/h1-2H2 |
| InChIKey | MXYICOZLRXPIIQ-UHFFFAOYSA-N |
| Molecular Weight | 374.134 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)OCCOC(C(C(F)(F)F)(F)F)=O |