| SpectraBase Compound ID | Fw2FwuqIARY |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-4-5-11(8-9(2)13)12-7-6-10(3)14-12/h6-7,11H,4-5,8H2,1-3H3 |
| InChIKey | YZFAFFLPVHPERA-UHFFFAOYSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 74uBIXG5uUn |
|---|---|
| Name | 5-Methyl-2(2-oxo-4-heptyl)furan |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-4-5-11(8-9(2)13)12-7-6-10(3)14-12/h6-7,11H,4-5,8H2,1-3H3 |
| InChIKey | YZFAFFLPVHPERA-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C1=C(OC(=C1)C)C(CC(C)=O)CCC |