| SpectraBase Compound ID | 89UZZtRHs3a |
|---|---|
| InChI | InChI=1S/C5H8Cl2/c1-3-5(2,7)4-6/h3H,1,4H2,2H3 |
| InChIKey | IUTKMMYIZHCEFS-UHFFFAOYSA-N |
| Mol Weight | 139.02 g/mol |
| Molecular Formula | C5H8Cl2 |
| Exact Mass | 138.000306 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F1eLa8XXiyr |
|---|---|
| Name | 3,4-Dichloro-3-methyl-1-butene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.000305658 u |
| Formula | C5H8Cl2 |
| InChI | InChI=1S/C5H8Cl2/c1-3-5(2,7)4-6/h3H,1,4H2,2H3 |
| InChIKey | IUTKMMYIZHCEFS-UHFFFAOYSA-N |
| Molecular Weight | 139.025 g/mol |
| SMILES | C(C=C)(Cl)(CCl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910642 |