![Ethyl (E,E)-5-[2-(3-oxobutyl)phenyl]penta-2,4-dienoate](/api/spectrum/7ma3BlqvTQZ/structure.png?h=300&w=458 "Ethyl (E,E)-5-[2-(3-oxobutyl)phenyl]penta-2,4-dienoate")
| SpectraBase Compound ID | KBGeGZ6TiBg |
|---|---|
| InChI | InChI=1S/C17H20O3/c1-3-20-17(19)11-7-6-9-15-8-4-5-10-16(15)13-12-14(2)18/h4-11H,3,12-13H2,1-2H3/b9-6+,11-7+ |
| InChIKey | VFULKOMSQAMZSO-QHAIXMIYSA-N |
| Mol Weight | 272.34 g/mol |
| Molecular Formula | C17H20O3 |
| Exact Mass | 272.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ma3BlqvTQZ |
|---|---|
| Name | Ethyl (E,E)-5-[2-(3-oxobutyl)phenyl]penta-2,4-dienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.141244501 u |
| Formula | C17H20O3 |
| InChI | InChI=1S/C17H20O3/c1-3-20-17(19)11-7-6-9-15-8-4-5-10-16(15)13-12-14(2)18/h4-11H,3,12-13H2,1-2H3/b9-6+,11-7+ |
| InChIKey | VFULKOMSQAMZSO-QHAIXMIYSA-N |
| SMILES | C(\C=C\C=C\C=1C(=CC=CC1)CCC(C)=O)(=O)OCC |