![(E)-3-[5-[(E)-3-ketobut-1-enyl]-2-furyl]acrylic acid methyl ester](/api/spectrum/IjE9GQY5CS9/structure.png?h=300&w=458 "(E)-3-[5-[(E)-3-ketobut-1-enyl]-2-furyl]acrylic acid methyl ester")
| SpectraBase Compound ID | 5bbGLMRozC5 |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-9(13)3-4-10-5-6-11(16-10)7-8-12(14)15-2/h3-8H,1-2H3/b4-3+,8-7+ |
| InChIKey | NBDKHEQKKOKWJJ-DYWGDJMRSA-N |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IjE9GQY5CS9 |
|---|---|
| Name | (E)-3-[5-[(E)-3-Ketobut-1-enyl]-2-furyl]acrylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.073558862 u |
| Formula | C12H12O4 |
| InChI | InChI=1S/C12H12O4/c1-9(13)3-4-10-5-6-11(16-10)7-8-12(14)15-2/h3-8H,1-2H3/b4-3+,8-7+ |
| InChIKey | NBDKHEQKKOKWJJ-DYWGDJMRSA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | C=1(OC(=CC1)\C=C\C(=O)OC)\C=C\C(=O)C |