| SpectraBase Compound ID | DjvtmTrAUd9 |
|---|---|
| InChI | InChI=1S/C12HF9O/c13-2-1-3(14)5(16)11(4(2)15)22-12-9(20)7(18)6(17)8(19)10(12)21/h1H |
| InChIKey | JAUFVLKWQBABRK-UHFFFAOYSA-N |
| Mol Weight | 332.12 g/mol |
| Molecular Formula | C12HF9O |
| Exact Mass | 331.988368 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CZ4KlSD6ZNf |
|---|---|
| Name | 1,2,3,4,5-Pentafluoro-6-(2,3,5,6-tetrafluorophenoxy)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.988368118 u |
| Formula | C12HF9O |
| InChI | InChI=1S/C12HF9O/c13-2-1-3(14)5(16)11(4(2)15)22-12-9(20)7(18)6(17)8(19)10(12)21/h1H |
| InChIKey | JAUFVLKWQBABRK-UHFFFAOYSA-N |
| Molecular Weight | 332.125 g/mol |
| SMILES | C1(=C(C(F)=C(C(=C1F)F)F)F)OC=1C(=C(F)C=C(C1F)F)F |