| SpectraBase Compound ID | 4afMxf2f5ud |
|---|---|
| InChI | InChI=1S/C12H18ClN/c1-3-12(4-2)14-9-10-5-7-11(13)8-6-10/h5-8,12,14H,3-4,9H2,1-2H3 |
| InChIKey | NKFQYHXJWAQCRM-UHFFFAOYSA-N |
| Mol Weight | 211.74 g/mol |
| Molecular Formula | C12H18ClN |
| Exact Mass | 211.112777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ao0rxyuAX7W |
|---|---|
| Name | N-(3-Pentyl)-4-chlorobenzylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.112777284 u |
| Formula | C12H18ClN |
| InChI | InChI=1S/C12H18ClN/c1-3-12(4-2)14-9-10-5-7-11(13)8-6-10/h5-8,12,14H,3-4,9H2,1-2H3 |
| InChIKey | NKFQYHXJWAQCRM-UHFFFAOYSA-N |
| Molecular Weight | 211.736 g/mol |
| SMILES | C=1(CNC(CC)CC)C=CC(=CC1)Cl |