| SpectraBase Compound ID | IBh85ZeEybx |
|---|---|
| InChI | InChI=1S/C16H18ClN/c17-16-10-8-15(9-11-16)13-18-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,18H,4,7,12-13H2 |
| InChIKey | QMASEDPJKXGRCW-UHFFFAOYSA-N |
| Mol Weight | 259.78 g/mol |
| Molecular Formula | C16H18ClN |
| Exact Mass | 259.112777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4qRAj2Sw82B |
|---|---|
| Name | N-(4-Chlorobenzyl)-3-phenyl-1-propylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.112777284 u |
| Formula | C16H18ClN |
| InChI | InChI=1S/C16H18ClN/c17-16-10-8-15(9-11-16)13-18-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,18H,4,7,12-13H2 |
| InChIKey | QMASEDPJKXGRCW-UHFFFAOYSA-N |
| SMILES | C=1(CNCCCC=2C=CC=CC2)C=CC(=CC1)Cl |