| SpectraBase Compound ID | F80u05TNncN |
|---|---|
| InChI | InChI=1S/C13H20O3/c14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10/h10,12H,1-9H2 |
| InChIKey | LRCHNMTYHHXXMY-UHFFFAOYSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JbIb41x0AfR |
|---|---|
| Name | Cyclohexanecarboxylic acid, 2-oxocyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.141244501 u |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10/h10,12H,1-9H2 |
| InChIKey | LRCHNMTYHHXXMY-UHFFFAOYSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | C(OC1C(=O)CCCC1)(=O)C1CCCCC1 |