| SpectraBase Compound ID | 1eksIENFqV0 |
|---|---|
| InChI | InChI=1S/C6H8/c1-4-5-6(2)3/h2H2,1,3H3 |
| InChIKey | KGIABMDFILVKGN-UHFFFAOYSA-N |
| Mol Weight | 80.13 g/mol |
| Molecular Formula | C6H8 |
| Exact Mass | 80.0626 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2qA9Doa55UE |
|---|---|
| Name | 2,4-Dimethyl-1-butene-3-yne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 80.062600258 u |
| Formula | C6H8 |
| InChI | InChI=1S/C6H8/c1-4-5-6(2)3/h2H2,1,3H3 |
| InChIKey | KGIABMDFILVKGN-UHFFFAOYSA-N |
| Molecular Weight | 80.130 g/mol |
| SMILES | CC(=C)C#CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966983 |