| SpectraBase Compound ID | 33Mr19Zqw3t |
|---|---|
| InChI | InChI=1S/C8H10O/c1-4-7(2)5-6-8(3)9/h1,5H,6H2,2-3H3/b7-5+ |
| InChIKey | CMAINFABRMJGCJ-FNORWQNLSA-N |
| Mol Weight | 122.17 g/mol |
| Molecular Formula | C8H10O |
| Exact Mass | 122.073165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 29ek45MRlvJ |
|---|---|
| Name | 5-Methyl-4-hepten-6-yn-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.073164941 u |
| Formula | C8H10O |
| InChI | InChI=1S/C8H10O/c1-4-7(2)5-6-8(3)9/h1,5H,6H2,2-3H3/b7-5+ |
| InChIKey | CMAINFABRMJGCJ-FNORWQNLSA-N |
| Molecular Weight | 122.167 g/mol |
| SMILES | C(#C)\C(=C\CC(=O)C)C |