| SpectraBase Compound ID | L1z2qabW94R |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-3-15-12(14)7-5-10-8-9(2)4-6-11(10)13/h9-10H,3-8H2,1-2H3 |
| InChIKey | VRMJROHYJWDDNL-UHFFFAOYSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Tiv3caJxzQ |
|---|---|
| Name | Ethyl 3-(2-oxo-5-methylcyclohexyl)propionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-3-15-12(14)7-5-10-8-9(2)4-6-11(10)13/h9-10H,3-8H2,1-2H3 |
| InChIKey | VRMJROHYJWDDNL-UHFFFAOYSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C1(C(CC(CC1)C)CCC(=O)OCC)=O |