| SpectraBase Compound ID | Faj3TQSXgaM |
|---|---|
| InChI | InChI=1S/C8H2Br3Cl3O2/c9-3-1-4(10)6(5(11)2-3)16-7(15)8(12,13)14/h1-2H |
| InChIKey | NYOGCKNTCOPANW-UHFFFAOYSA-N |
| Mol Weight | 476.17 g/mol |
| Molecular Formula | C8H2Br3Cl3O2 |
| Exact Mass | 471.667051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uClnIdpU5U |
|---|---|
| Name | Trichloroacetic acid, 2,4,6-tribromophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 471.667051402 u |
| Formula | C8H2Br3Cl3O2 |
| InChI | InChI=1S/C8H2Br3Cl3O2/c9-3-1-4(10)6(5(11)2-3)16-7(15)8(12,13)14/h1-2H |
| InChIKey | NYOGCKNTCOPANW-UHFFFAOYSA-N |
| Molecular Weight | 476.173 g/mol |
| SMILES | C(Cl)(Cl)(Cl)C(OC=1C(=CC(=CC1Br)Br)Br)=O |