| SpectraBase Compound ID | DB7sQx0ful |
|---|---|
| InChI | InChI=1S/C3H8ClN.ClH/c4-2-1-3-5;/h1-3,5H2;1H |
| InChIKey | IHPRVZKJZGXTBQ-UHFFFAOYSA-N |
| Mol Weight | 129.01 g/mol |
| Molecular Formula | C3H8Cl2N |
| Exact Mass | 128.00338 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5DY10tIXX05 |
|---|---|
| Name | 3-Chloropropylamine, hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 129.011204694 u |
| Formula | C3H9Cl2N |
| InChI | InChI=1S/C3H8ClN.ClH/c4-2-1-3-5;/h1-3,5H2;1H |
| InChIKey | IHPRVZKJZGXTBQ-UHFFFAOYSA-N |
| SMILES | Cl.NCCCCl |
| Spectrum/Structure Validation Score (Raman) | 0.963986 |