| SpectraBase Compound ID | 86fJPIaoBF6 |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-2-3-6-11(13)12(14)8-7-10-5-4-9-15-10/h4-5,7-9,11,13H,2-3,6H2,1H3/b8-7+ |
| InChIKey | JOIAFFNDQRFVBI-BQYQJAHWSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DdsbxfSO4fr |
|---|---|
| Name | 4-Hydroxy-1-(2-furyl)octen-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-2-3-6-11(13)12(14)8-7-10-5-4-9-15-10/h4-5,7-9,11,13H,2-3,6H2,1H3/b8-7+ |
| InChIKey | JOIAFFNDQRFVBI-BQYQJAHWSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C=1(\C=C\C(=O)C(O)CCCC)OC=CC1 |