| SpectraBase Compound ID | Deop6Ok2UoB |
|---|---|
| InChI | InChI=1S/C13H6BrCl3O2/c14-8-3-1-7(2-4-8)13(18)19-12-6-10(16)9(15)5-11(12)17/h1-6H |
| InChIKey | SPLGREMAUYPNSI-UHFFFAOYSA-N |
| Mol Weight | 380.45 g/mol |
| Molecular Formula | C13H6BrCl3O2 |
| Exact Mass | 377.861676 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8axDsrvf7bL |
|---|---|
| Name | 4-Bromobenzoic acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 377.861675531 u |
| Formula | C13H6BrCl3O2 |
| InChI | InChI=1S/C13H6BrCl3O2/c14-8-3-1-7(2-4-8)13(18)19-12-6-10(16)9(15)5-11(12)17/h1-6H |
| InChIKey | SPLGREMAUYPNSI-UHFFFAOYSA-N |
| Molecular Weight | 380.452 g/mol |
| SMILES | C1=CC(=CC=C1C(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl)Br |