![3-[4-(Trifluoromethyl)phenyl]benzonitrile](/api/spectrum/9Tz1E3OqpA7/structure.png?h=300&w=458 "3-[4-(Trifluoromethyl)phenyl]benzonitrile")
| SpectraBase Compound ID | AYywry75TJ4 |
|---|---|
| InChI | InChI=1S/C14H8F3N/c15-14(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-18/h1-8H |
| InChIKey | WZGRFIOYNFHFIM-UHFFFAOYSA-N |
| Mol Weight | 247.22 g/mol |
| Molecular Formula | C14H8F3N |
| Exact Mass | 247.060884 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Tz1E3OqpA7 |
|---|---|
| Name | 3-[4-(Trifluoromethyl)phenyl]benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.060883751 u |
| Formula | C14H8F3N |
| InChI | InChI=1S/C14H8F3N/c15-14(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-18/h1-8H |
| InChIKey | WZGRFIOYNFHFIM-UHFFFAOYSA-N |
| Molecular Weight | 247.220 g/mol |
| SMILES | C(F)(F)(F)C1=CC=C(C=C1)C1=CC(=CC=C1)C#N |