| SpectraBase Compound ID | 31hjEIGFURm |
|---|---|
| InChI | InChI=1S/C5H10Cl2/c1-5(7)3-2-4-6/h5H,2-4H2,1H3 |
| InChIKey | IJZUPZAYWWVHIO-UHFFFAOYSA-N |
| Mol Weight | 141.04 g/mol |
| Molecular Formula | C5H10Cl2 |
| Exact Mass | 140.015956 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K8DMU1ziMzJ |
|---|---|
| Name | Pentane, 1,4-dichloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.015955722 u |
| Formula | C5H10Cl2 |
| InChI | InChI=1S/C5H10Cl2/c1-5(7)3-2-4-6/h5H,2-4H2,1H3 |
| InChIKey | IJZUPZAYWWVHIO-UHFFFAOYSA-N |
| SMILES | C(C(C)Cl)CCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938844 |