| SpectraBase Compound ID | KLZ7acbGz2D |
|---|---|
| InChI | InChI=1S/C16H14Cl2F3N/c17-14-5-4-12(15(18)9-14)6-7-22-10-11-2-1-3-13(8-11)16(19,20)21/h1-5,8-9,22H,6-7,10H2 |
| InChIKey | KSXPYQNGBZXMHA-UHFFFAOYSA-N |
| Mol Weight | 348.2 g/mol |
| Molecular Formula | C16H14Cl2F3N |
| Exact Mass | 347.045539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5vPSvMexSYU |
|---|---|
| Name | N-(3-Trifluoromethylbenzyl)-2,4-dichlorobenzeneethanamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.045539344 u |
| Formula | C16H14Cl2F3N |
| InChI | InChI=1S/C16H14Cl2F3N/c17-14-5-4-12(15(18)9-14)6-7-22-10-11-2-1-3-13(8-11)16(19,20)21/h1-5,8-9,22H,6-7,10H2 |
| InChIKey | KSXPYQNGBZXMHA-UHFFFAOYSA-N |
| Molecular Weight | 348.196 g/mol |
| SMILES | C(C1=CC(CNCCC=2C(=CC(=CC2)Cl)Cl)=CC=C1)(F)(F)F |