| SpectraBase Compound ID | 6QtuvL2eAyx |
|---|---|
| InChI | InChI=1S/C4H9Cl2N.Cl/c5-1-3-7-4-2-6;/h7H,1-4H2; |
| InChIKey | PGRRLGQDTROXST-UHFFFAOYSA-N |
| Mol Weight | 177.48 g/mol |
| Molecular Formula | C4H9Cl3N |
| Exact Mass | 175.980057 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | L44u0DK341F |
|---|---|
| Name | bis(2-Chloroethyl)amine hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.980057394 u |
| Formula | C4H9Cl3N |
| InChI | InChI=1S/C4H9Cl2N.Cl/c5-1-3-7-4-2-6;/h7H,1-4H2; |
| InChIKey | PGRRLGQDTROXST-UHFFFAOYSA-N |
| Molecular Weight | 177.482 g/mol |
| Nominal Mass | 176 u |
| SMILES | C(Cl)CNCCCl.[Cl] |
| Spectrum/Structure Validation Score (Raman) | 0.979089 |