| SpectraBase Compound ID | He1mm20oeZf |
|---|---|
| InChI | InChI=1S/C6H8Cl4O2/c7-3-1-2-5(11)12-4-6(8,9)10/h1-4H2 |
| InChIKey | GIEQAPHJNYGVAX-UHFFFAOYSA-N |
| Mol Weight | 253.9 g/mol |
| Molecular Formula | C6H8Cl4O2 |
| Exact Mass | 251.92784 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DIlmcQbMHVr |
|---|---|
| Name | 4-Chlorobutyric acid, 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.927840296 u |
| Formula | C6H8Cl4O2 |
| InChI | InChI=1S/C6H8Cl4O2/c7-3-1-2-5(11)12-4-6(8,9)10/h1-4H2 |
| InChIKey | GIEQAPHJNYGVAX-UHFFFAOYSA-N |
| Molecular Weight | 253.940 g/mol |
| SMILES | C(COC(CCCCl)=O)(Cl)(Cl)Cl |