| SpectraBase Compound ID | 4LQWq9piyM9 |
|---|---|
| InChI | InChI=1S/C5H10Cl2S/c6-2-1-4-8-5-3-7/h1-5H2 |
| InChIKey | NXRPRUPNFDEDSY-UHFFFAOYSA-N |
| Mol Weight | 173.1 g/mol |
| Molecular Formula | C5H10Cl2S |
| Exact Mass | 171.988027 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JXXczsLvKJ3 |
|---|---|
| Name | 2-Chloroethyl 3-chloropropyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.988026896 u |
| Formula | C5H10Cl2S |
| InChI | InChI=1S/C5H10Cl2S/c6-2-1-4-8-5-3-7/h1-5H2 |
| InChIKey | NXRPRUPNFDEDSY-UHFFFAOYSA-N |
| SMILES | C(CCCl)SCCCl |
| Spectrum/Structure Validation Score (Raman) | 0.934208 |