| SpectraBase Compound ID | LRIsratKOVx |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-12(2,3)9-14-11(13)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3 |
| InChIKey | OYXFBRQIJFYDEE-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lwd2000gFkh |
|---|---|
| Name | Cyclohexanecarboxylic acid, 2,2-dimethylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-12(2,3)9-14-11(13)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3 |
| InChIKey | OYXFBRQIJFYDEE-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | CC(C)(C)COC(=O)C1CCCCC1 |