| SpectraBase Compound ID | 5MacVopBEOP |
|---|---|
| InChI | InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-8,12H,2-4,9-11H2,1H3/b6-5-,8-7+ |
| InChIKey | LDQDYNHCLZNOFB-IGTJQSIKSA-N |
| Mol Weight | 180.29 g/mol |
| Molecular Formula | C12H20O |
| Exact Mass | 180.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3brCsWMGJQE |
|---|---|
| Name | (5E,7Z)-Dodeca-5,7-dienal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.151415263 u |
| Formula | C12H20O |
| InChI | InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-8,12H,2-4,9-11H2,1H3/b6-5-,8-7+ |
| InChIKey | LDQDYNHCLZNOFB-IGTJQSIKSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C(\C=C/C=C/CCCC=O)CCC |