| SpectraBase Compound ID | A9QfdSqKqD6 |
|---|---|
| InChI | InChI=1S/C12H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h4-7,13H,2-3,8,11-12H2,1H3/b5-4+,7-6+ |
| InChIKey | BQYKGICJEHTUCX-YTXTXJHMSA-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 | IdDJtBmHtKJ |
|---|---|
| Name | (6E,8E)-1-Dodeca-6,8-dien-3-ynol |
| 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/c1-2-3-4-5-6-7-8-9-10-11-12-13/h4-7,13H,2-3,8,11-12H2,1H3/b5-4+,7-6+ |
| InChIKey | BQYKGICJEHTUCX-YTXTXJHMSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C(#CCCO)C\C=C\C=C\CCC |