| SpectraBase Compound ID | 3V29dTAZFbh |
|---|---|
| InChI | InChI=1S/C12H6F5N/c13-8-7(5-3-1-2-4-6(5)18)9(14)11(16)12(17)10(8)15/h1-4H,18H2 |
| InChIKey | BRSSNMGJKPPONP-UHFFFAOYSA-N |
| Mol Weight | 259.18 g/mol |
| Molecular Formula | C12H6F5N |
| Exact Mass | 259.04204 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 707AzR5tT8n |
|---|---|
| Name | 2-(2,3,4,5,6-Pentafluorophenyl)aniline |
| 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(5-3-1-2-4-6(5)18)9(14)11(16)12(17)10(8)15/h1-4H,18H2 |
| InChIKey | BRSSNMGJKPPONP-UHFFFAOYSA-N |
| Molecular Weight | 259.179 g/mol |
| SMILES | C=1(C(=C(F)C(=C(C1F)F)F)F)C=1C(N)=CC=CC1 |