| SpectraBase Compound ID | IoESGoUeVYw |
|---|---|
| InChI | InChI=1S/C3H4Cl4/c4-2-1-3(5,6)7/h1-2H2 |
| InChIKey | UTACNSITJSJFHA-UHFFFAOYSA-N |
| Mol Weight | 181.9 g/mol |
| Molecular Formula | C3H4Cl4 |
| Exact Mass | 179.906711 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A2YeEOzRuzP |
|---|---|
| Name | 1,1,1,3-Tetrachloropropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.906710929 u |
| Formula | C3H4Cl4 |
| InChI | InChI=1S/C3H4Cl4/c4-2-1-3(5,6)7/h1-2H2 |
| InChIKey | UTACNSITJSJFHA-UHFFFAOYSA-N |
| Molecular Weight | 181.877 g/mol |
| SMILES | C(Cl)(Cl)(Cl)CCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939252 |