![Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester](/api/spectrum/DxuzibjrN7p/structure.png?h=300&w=458 "Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester")
| SpectraBase Compound ID | 4kuDdwuLNC5 |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-9(13)15-8-10-4-6-11(7-5-10)12(2,3)14/h4,11,14H,5-8H2,1-3H3 |
| InChIKey | GAJGPKMCPGWYGC-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 | DxuzibjrN7p |
|---|---|
| Name | Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl 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/c1-9(13)15-8-10-4-6-11(7-5-10)12(2,3)14/h4,11,14H,5-8H2,1-3H3 |
| InChIKey | GAJGPKMCPGWYGC-UHFFFAOYSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | CC(C1CC=C(COC(C)=O)CC1)(O)C |