| SpectraBase Compound ID | 49jw75hS8l4 |
|---|---|
| InChI | InChI=1S/C9H16O/c1-8(2,3)6-7-9(4,5)10/h10H,1-5H3 |
| InChIKey | DKUUKNHZNHMLIW-UHFFFAOYSA-N |
| Mol Weight | 140.23 g/mol |
| Molecular Formula | C9H16O |
| Exact Mass | 140.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8qcuit04pNU |
|---|---|
| Name | 2,5,5-Trimethyl-3-hexyn-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.120115134 u |
| Formula | C9H16O |
| InChI | InChI=1S/C9H16O/c1-8(2,3)6-7-9(4,5)10/h10H,1-5H3 |
| InChIKey | DKUUKNHZNHMLIW-UHFFFAOYSA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | CC(C#CC(C)(C)O)(C)C |