| SpectraBase Compound ID | JmQSAsOrMpS |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-3-4-5-6-7-10-8-9(2)11(12)13-10/h8,10H,3-7H2,1-2H3 |
| InChIKey | YEAMKPCNIMSIFB-UHFFFAOYSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10ivBH97DkH |
|---|---|
| Name | 3-Methyl-5-hexyl-2(5H)-furanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c1-3-4-5-6-7-10-8-9(2)11(12)13-10/h8,10H,3-7H2,1-2H3 |
| InChIKey | YEAMKPCNIMSIFB-UHFFFAOYSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C1(OC(C=C1C)CCCCCC)=O |