![2',3',4',5',6'-Pentafluoro[1,1'-biphenyl]-4-ylamine](/api/spectrum/6g3COHNthla/structure.png?h=300&w=458 "2',3',4',5',6'-Pentafluoro[1,1'-biphenyl]-4-ylamine")
| SpectraBase Compound ID | 1zrnr9ZQyIu |
|---|---|
| InChI | InChI=1S/C12H6F5N/c13-8-7(5-1-3-6(18)4-2-5)9(14)11(16)12(17)10(8)15/h1-4H,18H2 |
| InChIKey | IQLIIURHJFOWCJ-UHFFFAOYSA-N |
| Mol Weight | 259.18 g/mol |
| Molecular Formula | C12H6F5N |
| Exact Mass | 259.04204 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6g3COHNthla |
|---|---|
| Name | 2',3',4',5',6'-Pentafluoro[1,1'-biphenyl]-4-ylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.042040012 u |
| Formula | C12H6F5N |
| InChI | InChI=1S/C12H6F5N/c13-8-7(5-1-3-6(18)4-2-5)9(14)11(16)12(17)10(8)15/h1-4H,18H2 |
| InChIKey | IQLIIURHJFOWCJ-UHFFFAOYSA-N |
| Molecular Weight | 259.179 g/mol |
| SMILES | C=1(C(=C(F)C(=C(C1F)F)F)F)C1=CC=C(C=C1)N |