| SpectraBase Compound ID | LSEEKJe7ybV |
|---|---|
| InChI | InChI=1S/C5H8O/c1-5(2)3-4-6/h5-6H,1-2H3 |
| InChIKey | JQZGUQIEPRIDMR-UHFFFAOYSA-N |
| Mol Weight | 84.12 g/mol |
| Molecular Formula | C5H8O |
| Exact Mass | 84.057515 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8rvIoSQfNGW |
|---|---|
| Name | Methylbutynol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 84.057514877 u |
| Formula | C5H8O |
| InChI | InChI=1S/C5H8O/c1-5(2)3-4-6/h5-6H,1-2H3 |
| InChIKey | JQZGUQIEPRIDMR-UHFFFAOYSA-N |
| Molecular Weight | 84.118 g/mol |
| SMILES | C(#CC(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918434 |