| SpectraBase Compound ID | BLObtyMgkdE |
|---|---|
| InChI | InChI=1S/C14H20O4/c1-4-7-8-9-12(5-2)18-14(16)11-10-13(15)17-6-3/h4,7-12H,5-6H2,1-3H3/b7-4+,9-8+,11-10+ |
| InChIKey | DVKITELKSVHFDI-XWXHWXBNSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C14H20O4 |
| Exact Mass | 252.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D6Eg4AOENP8 |
|---|---|
| Name | Ethyl 6-ethyl-5-oxa-4-oxoundeca-2,7,9-trienoic acid ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.136159120 u |
| Formula | C14H20O4 |
| InChI | InChI=1S/C14H20O4/c1-4-7-8-9-12(5-2)18-14(16)11-10-13(15)17-6-3/h4,7-12H,5-6H2,1-3H3/b7-4+,9-8+,11-10+ |
| InChIKey | DVKITELKSVHFDI-XWXHWXBNSA-N |
| Molecular Weight | 252.310 g/mol |
| SMILES | C(\C=C\C(=O)OCC)(=O)OC(\C=C\C=C\C)CC |