| SpectraBase Compound ID | 8EEJTJqdSmS |
|---|---|
| InChI | InChI=1S/C11H14O3/c1-9(4-6-12)2-3-11(13)10-5-7-14-8-10/h5-9H,2-4H2,1H3 |
| InChIKey | NXFWCWUZAUYVHN-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uPSiJVvJ5N |
|---|---|
| Name | 1-(3'-Furyl)-4-methylhexne-1,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.094294308 u |
| Formula | C11H14O3 |
| InChI | InChI=1S/C11H14O3/c1-9(4-6-12)2-3-11(13)10-5-7-14-8-10/h5-9H,2-4H2,1H3 |
| InChIKey | NXFWCWUZAUYVHN-UHFFFAOYSA-N |
| Molecular Weight | 194.230 g/mol |
| SMILES | C1(C(=O)CCC(CC=O)C)=COC=C1 |