| SpectraBase Compound ID | 5rKq1onMWzk |
|---|---|
| InChI | InChI=1S/C12H18O/c1-4-11(2)9-7-5-6-8-10-12(3)13/h4,6,8-9H,1,5,7,10H2,2-3H3/b8-6+,11-9+ |
| InChIKey | KMZJSSVHQQUKJG-ZOIFJEAISA-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 | 1a6lmNGSFHJ |
|---|---|
| Name | 4,8,10-Undecatrien-2-one, 9-methyl-, (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/c1-4-11(2)9-7-5-6-8-10-12(3)13/h4,6,8-9H,1,5,7,10H2,2-3H3/b8-6+,11-9+ |
| InChIKey | KMZJSSVHQQUKJG-ZOIFJEAISA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C(\C(=C\CC\C=C\CC(=O)C)C)=C |