| SpectraBase Compound ID | 9UYLN9pOzi5 |
|---|---|
| InChI | InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8-,13-12+ |
| InChIKey | AASSLPGKTZCKLS-YILALFFRSA-N |
| Mol Weight | 224.34 g/mol |
| Molecular Formula | C14H24O2 |
| Exact Mass | 224.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69g5KcpOd64 |
|---|---|
| Name | (2E,6Z)-Dodeca-2,6-dienoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.177630011 u |
| Formula | C14H24O2 |
| InChI | InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8-,13-12+ |
| InChIKey | AASSLPGKTZCKLS-YILALFFRSA-N |
| Molecular Weight | 224.344 g/mol |
| SMILES | C(\C=C\CC\C=C/CCCCC)(=O)OCC |