| SpectraBase Compound ID | Lf9DV4GGqjN |
|---|---|
| InChI | InChI=1S/C7H5Cl3O3/c8-7(9,10)4-13-6(11)5-2-1-3-12-5/h1-3H,4H2 |
| InChIKey | WWHZWLUAKBBFNX-UHFFFAOYSA-N |
| Mol Weight | 243.47 g/mol |
| Molecular Formula | C7H5Cl3O3 |
| Exact Mass | 241.930427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cq33lTdTzne |
|---|---|
| Name | 2-Furoic acid, 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.930427118 u |
| Formula | C7H5Cl3O3 |
| InChI | InChI=1S/C7H5Cl3O3/c8-7(9,10)4-13-6(11)5-2-1-3-12-5/h1-3H,4H2 |
| InChIKey | WWHZWLUAKBBFNX-UHFFFAOYSA-N |
| Molecular Weight | 243.473 g/mol |
| SMILES | C1(=CC=CO1)C(=O)OCC(Cl)(Cl)Cl |