| SpectraBase Compound ID | 2bgf4adWdS0 |
|---|---|
| InChI | InChI=1S/C7H10O/c1-6(2)4-5-7(3)8/h7-8H,1H2,2-3H3 |
| InChIKey | WMFIGZRDWHYIOC-UHFFFAOYSA-N |
| Mol Weight | 110.16 g/mol |
| Molecular Formula | C7H10O |
| Exact Mass | 110.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 80bPH4IZbga |
|---|---|
| Name | 5-Methyl-5-hexen-3-yn-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 110.073164941 u |
| Formula | C7H10O |
| InChI | InChI=1S/C7H10O/c1-6(2)4-5-7(3)8/h7-8H,1H2,2-3H3 |
| InChIKey | WMFIGZRDWHYIOC-UHFFFAOYSA-N |
| Molecular Weight | 110.156 g/mol |
| SMILES | C=C(C#CC(C)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913797 |