| SpectraBase Compound ID | 26PsYPY4AvY |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-3-12(7-5-4-6-8-12)15-11(14)9-10(2)13/h3-9H2,1-2H3 |
| InChIKey | AOJQJEGJPJOEOG-UHFFFAOYSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 24FzzjCEH5v |
|---|---|
| Name | Acetoacetic acid, 1-ethylcyclohexyl ester |
| 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/c1-3-12(7-5-4-6-8-12)15-11(14)9-10(2)13/h3-9H2,1-2H3 |
| InChIKey | AOJQJEGJPJOEOG-UHFFFAOYSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C(OC1(CC)CCCCC1)(CC(C)=O)=O |