| SpectraBase Compound ID | eK7mtmjdxk |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-8(2)10-6-5-9(3)7-11(10)12(13)14-4/h8-11H,5-7H2,1-4H3 |
| InChIKey | WSNSSGPONUMHFZ-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 | ApPrLr3nOyP |
|---|---|
| Name | 5-Methyl-2-(propan-2-yl)cyclohexane-1-carboxylic acid, methyl 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/c1-8(2)10-6-5-9(3)7-11(10)12(13)14-4/h8-11H,5-7H2,1-4H3 |
| InChIKey | WSNSSGPONUMHFZ-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | C(OC)(=O)C1C(CCC(C1)C)C(C)C |