| SpectraBase Compound ID | EkkaJ5lD8Ke |
|---|---|
| InChI | InChI=1S/C8H3Br3Cl2O2/c9-3-1-4(10)6(5(11)2-3)15-8(14)7(12)13/h1-2,7H |
| InChIKey | VLASWKLCPVQLGD-UHFFFAOYSA-N |
| Mol Weight | 441.73 g/mol |
| Molecular Formula | C8H3Br3Cl2O2 |
| Exact Mass | 437.706024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HFtj7LqwWyW |
|---|---|
| Name | Dichloroacetic acid, 2,4,6-tribromophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 437.706023735 u |
| Formula | C8H3Br3Cl2O2 |
| InChI | InChI=1S/C8H3Br3Cl2O2/c9-3-1-4(10)6(5(11)2-3)15-8(14)7(12)13/h1-2,7H |
| InChIKey | VLASWKLCPVQLGD-UHFFFAOYSA-N |
| Molecular Weight | 441.728 g/mol |
| SMILES | C=1C(Br)=C(C(Br)=CC1Br)OC(=O)C(Cl)Cl |