| SpectraBase Compound ID | FqaYvtUDHmf |
|---|---|
| InChI | InChI=1S/C17H13F4N/c1-2-3-4-10-5-7-11(8-6-10)13-16(20)14(18)12(9-22)15(19)17(13)21/h5-8H,2-4H2,1H3 |
| InChIKey | MWSZSOPRYBBERP-UHFFFAOYSA-N |
| Mol Weight | 307.29 g/mol |
| Molecular Formula | C17H13F4N |
| Exact Mass | 307.098412 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 | CPIbHMe2rB |
|---|---|
| Name | 4-(4-Butylphenyl)-2,3,5,6-tetrafluoro-benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.098412075 u |
| Formula | C17H13F4N |
| InChI | InChI=1S/C17H13F4N/c1-2-3-4-10-5-7-11(8-6-10)13-16(20)14(18)12(9-22)15(19)17(13)21/h5-8H,2-4H2,1H3 |
| InChIKey | MWSZSOPRYBBERP-UHFFFAOYSA-N |
| Molecular Weight | 307.292 g/mol |
| SMILES | C1(=C(C(F)=C(C(=C1F)F)C=1C=CC(=CC1)CCCC)F)C#N |