| SpectraBase Compound ID | 8B2cRS7RuE2 |
|---|---|
| InChI | InChI=1S/C15H13ClF3N/c16-14-6-4-11(5-7-14)9-20-10-12-2-1-3-13(8-12)15(17,18)19/h1-8,20H,9-10H2 |
| InChIKey | MCSZGNQAUKWADF-UHFFFAOYSA-N |
| Mol Weight | 299.72 g/mol |
| Molecular Formula | C15H13ClF3N |
| Exact Mass | 299.068862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IICV9VA8qGB |
|---|---|
| Name | N-(3-Trifluoromethylbenzyl)-4-chlorobenzylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.068861612 u |
| Formula | C15H13ClF3N |
| InChI | InChI=1S/C15H13ClF3N/c16-14-6-4-11(5-7-14)9-20-10-12-2-1-3-13(8-12)15(17,18)19/h1-8,20H,9-10H2 |
| InChIKey | MCSZGNQAUKWADF-UHFFFAOYSA-N |
| Molecular Weight | 299.724 g/mol |
| SMILES | C=1(C(F)(F)F)C=C(CNCC=2C=CC(=CC2)Cl)C=CC1 |