| SpectraBase Compound ID | CCg9DjP9oy2 |
|---|---|
| InChI | InChI=1S/C13H18ClNO/c1-2-3-4-5-13(16)15-10-11-6-8-12(14)9-7-11/h6-9H,2-5,10H2,1H3,(H,15,16) |
| InChIKey | FGHCZRALODBTOD-UHFFFAOYSA-N |
| Mol Weight | 239.75 g/mol |
| Molecular Formula | C13H18ClNO |
| Exact Mass | 239.107692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJk477asMEw |
|---|---|
| Name | 4-Chlorobenzylamine hex |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.107691903 u |
| Formula | C13H18ClNO |
| InChI | InChI=1S/C13H18ClNO/c1-2-3-4-5-13(16)15-10-11-6-8-12(14)9-7-11/h6-9H,2-5,10H2,1H3,(H,15,16) |
| InChIKey | FGHCZRALODBTOD-UHFFFAOYSA-N |
| Molecular Weight | 239.746 g/mol |
| SMILES | C=1(CNC(CCCCC)=O)C=CC(=CC1)Cl |