![N-([3-(Trifluoromethyl)phenyl]methyl)aniline](/api/spectrum/42gP0QCHFD2/structure.png?h=300&w=458 "N-([3-(Trifluoromethyl)phenyl]methyl)aniline")
| SpectraBase Compound ID | ET0iwLjnkzQ |
|---|---|
| InChI | InChI=1S/C14H12F3N/c15-14(16,17)12-6-4-5-11(9-12)10-18-13-7-2-1-3-8-13/h1-9,18H,10H2 |
| InChIKey | GEDDIBYSNSLOJU-UHFFFAOYSA-N |
| Mol Weight | 251.25 g/mol |
| Molecular Formula | C14H12F3N |
| Exact Mass | 251.092184 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42gP0QCHFD2 |
|---|---|
| Name | N-([3-(Trifluoromethyl)phenyl]methyl)aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.092183879 u |
| Formula | C14H12F3N |
| InChI | InChI=1S/C14H12F3N/c15-14(16,17)12-6-4-5-11(9-12)10-18-13-7-2-1-3-8-13/h1-9,18H,10H2 |
| InChIKey | GEDDIBYSNSLOJU-UHFFFAOYSA-N |
| Molecular Weight | 251.252 g/mol |
| SMILES | C(C=1C=C(CNC=2C=CC=CC2)C=CC1)(F)(F)F |