| SpectraBase Compound ID | 6Q0wgDHqh81 |
|---|---|
| InChI | InChI=1S/C9H12ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H,3,5,7,11H2 |
| InChIKey | IBVNNEPIXJSRAS-UHFFFAOYSA-N |
| Mol Weight | 169.66 g/mol |
| Molecular Formula | C9H12ClN |
| Exact Mass | 169.065827 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4EUsvM0JrFa |
|---|---|
| Name | 3-(o-Chlorophenyl)propylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.065827090 u |
| Formula | C9H12ClN |
| InChI | InChI=1S/C9H12ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H,3,5,7,11H2 |
| InChIKey | IBVNNEPIXJSRAS-UHFFFAOYSA-N |
| SMILES | NCCCC1=CC=CC=C1Cl |
| Spectrum/Structure Validation Score (Raman) | 0.938855 |