| SpectraBase Compound ID | 7hbJmGy2bQY |
|---|---|
| InChI | InChI=1S/C7H9Cl3O2/c1-3-5(2)6(11)12-4-7(8,9)10/h3H,4H2,1-2H3/b5-3+ |
| InChIKey | FUVRPWLCAOGXMX-HWKANZROSA-N |
| Mol Weight | 231.51 g/mol |
| Molecular Formula | C7H9Cl3O2 |
| Exact Mass | 229.966813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vLVxOehe3k |
|---|---|
| Name | 2,2,2-Trichloroethyl (E)-2-methylbut-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.966812628 u |
| Formula | C7H9Cl3O2 |
| InChI | InChI=1S/C7H9Cl3O2/c1-3-5(2)6(11)12-4-7(8,9)10/h3H,4H2,1-2H3/b5-3+ |
| InChIKey | FUVRPWLCAOGXMX-HWKANZROSA-N |
| Molecular Weight | 231.506 g/mol |
| SMILES | C(=O)(\C(C)=C\C)OCC(Cl)(Cl)Cl |