| SpectraBase Compound ID | Hsrj8kCFOdG |
|---|---|
| InChI | InChI=1S/C12H18O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h2,4-5,7H,1,3,6,8-11H2/b4-2-,7-5- |
| InChIKey | AZSAUMXEXMBZBS-ILNZVKDWSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L9X7vavLYTl |
|---|---|
| Name | Cyclododeca-4,8-dien-1-on, (E,E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h2,4-5,7H,1,3,6,8-11H2/b4-2-,7-5- |
| InChIKey | AZSAUMXEXMBZBS-ILNZVKDWSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C1CC\C=C/CC\C=C/CCC1=O |