| SpectraBase Compound ID | H4cN6aZrTR6 |
|---|---|
| InChI | InChI=1S/C16H16F3N/c1-12-4-2-5-13(8-12)10-20-11-14-6-3-7-15(9-14)16(17,18)19/h2-9,20H,10-11H2,1H3 |
| InChIKey | JTYLIJWKOPATDK-UHFFFAOYSA-N |
| Mol Weight | 279.31 g/mol |
| Molecular Formula | C16H16F3N |
| Exact Mass | 279.123484 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Avu9VveAXmU |
|---|---|
| Name | N-(3-Trifluoromethylbenzyl)-3-methylbenzylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.123484008 u |
| Formula | C16H16F3N |
| InChI | InChI=1S/C16H16F3N/c1-12-4-2-5-13(8-12)10-20-11-14-6-3-7-15(9-14)16(17,18)19/h2-9,20H,10-11H2,1H3 |
| InChIKey | JTYLIJWKOPATDK-UHFFFAOYSA-N |
| Molecular Weight | 279.306 g/mol |
| SMILES | C(C1=CC(CNCC=2C=C(C=CC2)C)=CC=C1)(F)(F)F |