![Ethyl 3-[3',4'-(methylenedioxy)phenyl]-2-penten-1-oate](/api/spectrum/IrfdtJDOlS9/structure.png?h=300&w=458 "Ethyl 3-[3',4'-(methylenedioxy)phenyl]-2-penten-1-oate")
| SpectraBase Compound ID | 8wNvuiMkjSo |
|---|---|
| InChI | InChI=1S/C14H16O4/c1-2-16-14(15)6-4-3-5-11-7-8-12-13(9-11)18-10-17-12/h4,6-9H,2-3,5,10H2,1H3/b6-4+ |
| InChIKey | AEMLPEJXIGENAZ-GQCTYLIASA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C14H16O4 |
| Exact Mass | 248.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IrfdtJDOlS9 |
|---|---|
| Name | Ethyl 3-[3',4'-(methylenedioxy)phenyl]-2-penten-1-oate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.104858991 u |
| Formula | C14H16O4 |
| InChI | InChI=1S/C14H16O4/c1-2-16-14(15)6-4-3-5-11-7-8-12-13(9-11)18-10-17-12/h4,6-9H,2-3,5,10H2,1H3/b6-4+ |
| InChIKey | AEMLPEJXIGENAZ-GQCTYLIASA-N |
| Molecular Weight | 248.278 g/mol |
| SMILES | C=12C(OCO2)=CC=C(C1)CC\C=C\C(=O)OCC |