| SpectraBase Compound ID | 3JeTILd4hJq |
|---|---|
| InChI | InChI=1S/C6H8Cl2/c1-5(3-7)6(2)4-8/h3-4H,1-2H3/b5-3+,6-4+ |
| InChIKey | XXWWZHZKSRTYNF-GGWOSOGESA-N |
| Mol Weight | 151.04 g/mol |
| Molecular Formula | C6H8Cl2 |
| Exact Mass | 150.000306 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KyNeCdzdv4t |
|---|---|
| Name | 1,3-Butadiene,-1,4-dichloro,-2,3-dimethyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.000305658 u |
| Formula | C6H8Cl2 |
| InChI | InChI=1S/C6H8Cl2/c1-5(3-7)6(2)4-8/h3-4H,1-2H3/b5-3+,6-4+ |
| InChIKey | XXWWZHZKSRTYNF-GGWOSOGESA-N |
| Molecular Weight | 151.036 g/mol |
| SMILES | C\C(\C(=C\Cl)C)=C\Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.859408 |