| SpectraBase Compound ID | LSXxqQioV4d |
|---|---|
| InChI | InChI=1S/C17H28O/c1-13(8-10-15(3)18)9-11-16-14(2)7-6-12-17(16,4)5/h8H,6-7,9-12H2,1-5H3/b13-8+ |
| InChIKey | KRQHVWNVHDVEBO-MDWZMJQESA-N |
| Mol Weight | 248.41 g/mol |
| Molecular Formula | C17H28O |
| Exact Mass | 248.214016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7wIedA1v37Y |
|---|---|
| Name | (E)-5-Methyl-7-(2',6',6'-trimethylcyclohex-1'-enyl)hept-4-en-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.214015521 u |
| Formula | C17H28O |
| InChI | InChI=1S/C17H28O/c1-13(8-10-15(3)18)9-11-16-14(2)7-6-12-17(16,4)5/h8H,6-7,9-12H2,1-5H3/b13-8+ |
| InChIKey | KRQHVWNVHDVEBO-MDWZMJQESA-N |
| Molecular Weight | 248.410 g/mol |
| SMILES | C1(=C(CCCC1(C)C)C)CC\C(=C\CC(=O)C)C |