| SpectraBase Compound ID | CWQfNHm4uaY |
|---|---|
| InChI | InChI=1S/C7H12O/c1-4-6-7(3,8)5-2/h2,8H,4,6H2,1,3H3 |
| InChIKey | DTGUZRPEDLHAAO-UHFFFAOYSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7mLlQSI59k2 |
|---|---|
| Name | 1-Hexyn-3-ol, 3-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.088815005 u |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-4-6-7(3,8)5-2/h2,8H,4,6H2,1,3H3 |
| InChIKey | DTGUZRPEDLHAAO-UHFFFAOYSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | C#CC(CCC)(C)O |