| SpectraBase Compound ID | INofOMApLcR |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h5-7H,1,3-4H2,2H3 |
| InChIKey | XZDRXONHWAJMID-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 971v1tysdBT |
|---|---|
| Name | 1-(3-Furanyl)-4-methyl-4-penten-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h5-7H,1,3-4H2,2H3 |
| InChIKey | XZDRXONHWAJMID-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | C1(C(=O)CCC(=C)C)=COC=C1 |