![Trans-4-[(2,2,2-trifluoroacetoxy)methyl]cyclohexanecarboxylic acid, methyl ester](/api/spectrum/ESyNn3NRmZa/structure.png?h=300&w=458 "Trans-4-[(2,2,2-trifluoroacetoxy)methyl]cyclohexanecarboxylic acid, methyl ester")
| SpectraBase Compound ID | LCOjL9fGUG0 |
|---|---|
| InChI | InChI=1S/C11H15F3O4/c1-17-9(15)8-4-2-7(3-5-8)6-18-10(16)11(12,13)14/h7-8H,2-6H2,1H3 |
| InChIKey | LCJAIUQRBUECPZ-UHFFFAOYSA-N |
| Mol Weight | 268.23 g/mol |
| Molecular Formula | C11H15F3O4 |
| Exact Mass | 268.092243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESyNn3NRmZa |
|---|---|
| Name | Trans-4-[(2,2,2-trifluoroacetoxy)methyl]cyclohexanecarboxylic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.092243448 u |
| Formula | C11H15F3O4 |
| InChI | InChI=1S/C11H15F3O4/c1-17-9(15)8-4-2-7(3-5-8)6-18-10(16)11(12,13)14/h7-8H,2-6H2,1H3 |
| InChIKey | LCJAIUQRBUECPZ-UHFFFAOYSA-N |
| Molecular Weight | 268.232 g/mol |
| SMILES | C1(CCC(CC1)COC(=O)C(F)(F)F)C(=O)OC |