| SpectraBase Compound ID | EIWvxNeHDzF |
|---|---|
| InChI | InChI=1S/C6H8O/c1-3-6(2)4-5-7/h1,4,7H,5H2,2H3/b6-4- |
| InChIKey | ZSJHASYJQIRSLE-XQRVVYSFSA-N |
| Mol Weight | 96.13 g/mol |
| Molecular Formula | C6H8O |
| Exact Mass | 96.057515 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 67Ab5LUfr0R |
|---|---|
| Name | cis-3-Methyl-2-penten-4-yn-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 96.057514877 u |
| Formula | C6H8O |
| InChI | InChI=1S/C6H8O/c1-3-6(2)4-5-7/h1,4,7H,5H2,2H3/b6-4- |
| InChIKey | ZSJHASYJQIRSLE-XQRVVYSFSA-N |
| Molecular Weight | 96.129 g/mol |
| SMILES | OC\C=C\(C)C#C |
| Spectrum/Structure Validation Score (Raman) | 0.978237 |