| SpectraBase Compound ID | G2qgBs1ugv3 |
|---|---|
| InChI | InChI=1S/C8H12O/c1-8(2)6-4-3-5-7-9/h9H,1,3,5,7H2,2H3 |
| InChIKey | FQODSYXHOOMXSG-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 | 5mzjt16kqOu |
|---|---|
| Name | 6-Methylhept-6-en-4-yn-1-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/c1-8(2)6-4-3-5-7-9/h9H,1,3,5,7H2,2H3 |
| InChIKey | FQODSYXHOOMXSG-UHFFFAOYSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C(CCC#CC(=C)C)O |