| SpectraBase Compound ID | Cq9C1sgQkkk |
|---|---|
| InChI | InChI=1S/C19H18F3N/c20-19(21,22)18-8-6-16(7-9-18)17-10-12-23(13-11-17)14-15-4-2-1-3-5-15/h1-10H,11-14H2 |
| InChIKey | WIICBJBPSAECPO-UHFFFAOYSA-N |
| Mol Weight | 317.36 g/mol |
| Molecular Formula | C19H18F3N |
| Exact Mass | 317.139134 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GLJbfXsKVK5 |
|---|---|
| Name | 1-Benzyl-4-(4-(trifluoromethyl)phenyl)- 1,2,3,6-tetrahydropyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.139134073 u |
| Formula | C19H18F3N |
| InChI | InChI=1S/C19H18F3N/c20-19(21,22)18-8-6-16(7-9-18)17-10-12-23(13-11-17)14-15-4-2-1-3-5-15/h1-10H,11-14H2 |
| InChIKey | WIICBJBPSAECPO-UHFFFAOYSA-N |
| Molecular Weight | 317.355 g/mol |
| SMILES | C(C1=CC=C(C2=CCN(CC2)CC=2C=CC=CC2)C=C1)(F)(F)F |