| SpectraBase Compound ID | 9xr453C17rj |
|---|---|
| InChI | InChI=1S/C18H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h6-7,9-10,12-13H,3-5,8,11,14-17H2,1-2H3/b7-6-,10-9-,13-12- |
| InChIKey | MZCUMMBTDLDIGZ-QNEBEIHSSA-N |
| Mol Weight | 278.44 g/mol |
| Molecular Formula | C18H30O2 |
| Exact Mass | 278.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6c1oEbiy7R4 |
|---|---|
| Name | Ethyl 6,9,12-hexadecatrienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.224580204 u |
| Formula | C18H30O2 |
| InChI | InChI=1S/C18H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h6-7,9-10,12-13H,3-5,8,11,14-17H2,1-2H3/b7-6-,10-9-,13-12- |
| InChIKey | MZCUMMBTDLDIGZ-QNEBEIHSSA-N |
| SMILES | C(C(=O)OCC)CCC\C=C/C\C=C/C\C=C/CCC |