| SpectraBase Compound ID | 2AdGm4ogSii |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-2-15-12(14)8-6-10(13)5-7-11-4-3-9-16-11/h3-4,6,8-9H,2,5,7H2,1H3/b8-6+ |
| InChIKey | NYBOSXKETUANAV-SOFGYWHQSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 537jcfYLtYZ |
|---|---|
| Name | (E)-Ethyl 6-(2-furanyl)-4-oxohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-2-15-12(14)8-6-10(13)5-7-11-4-3-9-16-11/h3-4,6,8-9H,2,5,7H2,1H3/b8-6+ |
| InChIKey | NYBOSXKETUANAV-SOFGYWHQSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C(\C=C\C(=O)CCC=1OC=CC1)(=O)OCC |