| SpectraBase Compound ID | 8WBfNb8qN6S |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-3-8-12(11(14)15-4-2)9-6-5-7-10(12)13/h3-9H2,1-2H3 |
| InChIKey | JOPWDKAYSDOHPP-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 | 6UlQZU3KeAJ |
|---|---|
| Name | 2-Keto-1-propyl-cyclohexanecarboxylic acid ethyl 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/c1-3-8-12(11(14)15-4-2)9-6-5-7-10(12)13/h3-9H2,1-2H3 |
| InChIKey | JOPWDKAYSDOHPP-UHFFFAOYSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | CCOC(=O)C1(CCC)C(=O)CCCC1 |