![4-Benzylidene-2,2-dimethylbicyclo[3.2.1]oct-6-en-3-one](/api/spectrum/HqXdE3EolkF/structure.png?h=300&w=458 "4-Benzylidene-2,2-dimethylbicyclo[3.2.1]oct-6-en-3-one")
| SpectraBase Compound ID | DGPWB2vnSb1 |
|---|---|
| InChI | InChI=1S/C17H18O/c1-17(2)14-9-8-13(11-14)15(16(17)18)10-12-6-4-3-5-7-12/h3-10,13-14H,11H2,1-2H3/b15-10+ |
| InChIKey | LQTVKUWEQIKXAF-XNTDXEJSSA-N |
| Mol Weight | 238.33 g/mol |
| Molecular Formula | C17H18O |
| Exact Mass | 238.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HqXdE3EolkF |
|---|---|
| Name | 4-Benzylidene-2,2-dimethylbicyclo[3.2.1]oct-6-en-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.135765199 u |
| Formula | C17H18O |
| InChI | InChI=1S/C17H18O/c1-17(2)14-9-8-13(11-14)15(16(17)18)10-12-6-4-3-5-7-12/h3-10,13-14H,11H2,1-2H3/b15-10+ |
| InChIKey | LQTVKUWEQIKXAF-XNTDXEJSSA-N |
| Molecular Weight | 238.330 g/mol |
| SMILES | C1(\C(C2CC(C1(C)C)C=C2)=C\C=1C=CC=CC1)=O |