| SpectraBase Compound ID | 1g3ULQMNY3f |
|---|---|
| InChI | InChI=1S/C8H12O/c1-4-6-7-8(3,9)5-2/h2,4,9H,1,6-7H2,3H3 |
| InChIKey | PVJVUJJZSINIGV-UHFFFAOYSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2qy5H4T4dCI |
|---|---|
| Name | 3-Methyl-6-hepten-1-yn-3-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.088815005 u |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-4-6-7-8(3,9)5-2/h2,4,9H,1,6-7H2,3H3 |
| InChIKey | PVJVUJJZSINIGV-UHFFFAOYSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C=CCCC(C)(O)C#C |