| SpectraBase Compound ID | 4wJWPz5oUpm |
|---|---|
| InChI | InChI=1S/C6H8BrCl3O2/c7-3-1-2-5(11)12-4-6(8,9)10/h1-4H2 |
| InChIKey | BMKUEJKAWLEGCS-UHFFFAOYSA-N |
| Mol Weight | 298.39 g/mol |
| Molecular Formula | C6H8BrCl3O2 |
| Exact Mass | 295.877326 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CFZZVPKxfqy |
|---|---|
| Name | 4-Bromobutyric acid, 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.877325596 u |
| Formula | C6H8BrCl3O2 |
| InChI | InChI=1S/C6H8BrCl3O2/c7-3-1-2-5(11)12-4-6(8,9)10/h1-4H2 |
| InChIKey | BMKUEJKAWLEGCS-UHFFFAOYSA-N |
| Molecular Weight | 298.391 g/mol |
| SMILES | C(CCCBr)(=O)OCC(Cl)(Cl)Cl |