| SpectraBase Compound ID | DOn51yCTX0L |
|---|---|
| InChI | InChI=1S/C11H2F12O2/c12-3-2(4(13)6(15)7(16)5(3)14)1-25-8(24)9(17,18)10(19,20)11(21,22)23/h1H2 |
| InChIKey | KVQPKYHUZYQVRB-UHFFFAOYSA-N |
| Mol Weight | 394.12 g/mol |
| Molecular Formula | C11H2F12O2 |
| Exact Mass | 393.986317 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fngj1j6DjnN |
|---|---|
| Name | 2,3,4,5,6-Pentafluorobenzyl alcohol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.986317258 u |
| Formula | C11H2F12O2 |
| InChI | InChI=1S/C11H2F12O2/c12-3-2(4(13)6(15)7(16)5(3)14)1-25-8(24)9(17,18)10(19,20)11(21,22)23/h1H2 |
| InChIKey | KVQPKYHUZYQVRB-UHFFFAOYSA-N |
| Molecular Weight | 394.116 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)COC(=O)C(C(C(F)(F)F)(F)F)(F)F |