| SpectraBase Compound ID | CnORsHuXEWJ |
|---|---|
| InChI | InChI=1S/C12H22O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h8-9H,3-7,10-11H2,1-2H3/b9-8+ |
| InChIKey | DUBFULMQDVINDM-CMDGGOBGSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3lsZSlIbl1b |
|---|---|
| Name | (E)-Dodec-5-en-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.167065327 u |
| Formula | C12H22O |
| InChI | InChI=1S/C12H22O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h8-9H,3-7,10-11H2,1-2H3/b9-8+ |
| InChIKey | DUBFULMQDVINDM-CMDGGOBGSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | CCCCCC\C=C\CCC(C)=O |