![2-Dodecen-6-one, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, [S-(Z)]-](/api/spectrum/Jd9uPoSe5z0/structure.png?h=300&w=458 "2-Dodecen-6-one, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, [S-(Z)]-")
| SpectraBase Compound ID | 9MteddfckFR |
|---|---|
| InChI | InChI=1S/C17H30O3/c1-4-5-6-8-11-15(18)12-9-7-10-13-16-14-19-17(2,3)20-16/h7,10,16H,4-6,8-9,11-14H2,1-3H3/b10-7-/t16-/m0/s1 |
| InChIKey | ZFHQKCQSPTYPIH-BJIFSAINSA-N |
| Mol Weight | 282.42 g/mol |
| Molecular Formula | C17H30O3 |
| Exact Mass | 282.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jd9uPoSe5z0 |
|---|---|
| Name | 2-Dodecen-6-one, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, [S-(Z)]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.219494823 u |
| Formula | C17H30O3 |
| InChI | InChI=1S/C17H30O3/c1-4-5-6-8-11-15(18)12-9-7-10-13-16-14-19-17(2,3)20-16/h7,10,16H,4-6,8-9,11-14H2,1-3H3/b10-7-/t16-/m0/s1 |
| InChIKey | ZFHQKCQSPTYPIH-BJIFSAINSA-N |
| SMILES | C1(O[C@@](C\C=C/CCC(=O)CCCCCC)(CO1)[H])(C)C |