| SpectraBase Compound ID | K1r4moOnsxq |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h12-13H,3-6,9H2,1-2H3/b13-12+ |
| InChIKey | JATRRWVLQQFNMA-OUKQBFOZSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8cLBJcjkKjP |
|---|---|
| Name | Dodecene-3,6-diyn-1-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h12-13H,3-6,9H2,1-2H3/b13-12+ |
| InChIKey | JATRRWVLQQFNMA-OUKQBFOZSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C(#CCC#CCCCCC)\C=C\OC(=O)C |