| SpectraBase Compound ID | GPo4LEggmyI |
|---|---|
| InChI | InChI=1S/C9H6BrCl3O2/c10-7-3-1-2-6(4-7)8(14)15-5-9(11,12)13/h1-4H,5H2 |
| InChIKey | RBKLYTYOGNRDII-UHFFFAOYSA-N |
| Mol Weight | 332.41 g/mol |
| Molecular Formula | C9H6BrCl3O2 |
| Exact Mass | 329.861676 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DvPhXSFxEHi |
|---|---|
| Name | 3-Bromobenzoic acid, 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.861675531 u |
| Formula | C9H6BrCl3O2 |
| InChI | InChI=1S/C9H6BrCl3O2/c10-7-3-1-2-6(4-7)8(14)15-5-9(11,12)13/h1-4H,5H2 |
| InChIKey | RBKLYTYOGNRDII-UHFFFAOYSA-N |
| Molecular Weight | 332.408 g/mol |
| SMILES | C1=CC=C(C=C1C(=O)OCC(Cl)(Cl)Cl)Br |