| SpectraBase Compound ID | 7GEZIWfn2MB |
|---|---|
| InChI | InChI=1S/C11H20O3/c1-14-11(13)8-4-6-9-5-2-3-7-10(9)12/h9-10,12H,2-8H2,1H3 |
| InChIKey | RDKOQJBYKNIERK-UHFFFAOYSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C11H20O3 |
| Exact Mass | 200.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4CB1g9ba8s5 |
|---|---|
| Name | Butanoic acid, 4-(2-hydroxycyclohexyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.141244501 u |
| Formula | C11H20O3 |
| InChI | InChI=1S/C11H20O3/c1-14-11(13)8-4-6-9-5-2-3-7-10(9)12/h9-10,12H,2-8H2,1H3 |
| InChIKey | RDKOQJBYKNIERK-UHFFFAOYSA-N |
| Molecular Weight | 200.278 g/mol |
| SMILES | C1C(O)C(CCCC(=O)OC)CCC1 |