| SpectraBase Compound ID | AOChFKF3UWl |
|---|---|
| InChI | InChI=1S/C13H6BrCl3O2/c14-8-3-1-2-7(4-8)13(18)19-12-6-10(16)9(15)5-11(12)17/h1-6H |
| InChIKey | BIDQITLPNYEMGC-UHFFFAOYSA-N |
| Mol Weight | 380.45 g/mol |
| Molecular Formula | C13H6BrCl3O2 |
| Exact Mass | 377.861676 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BW00iSCh7Rg |
|---|---|
| Name | 3-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/c14-8-3-1-2-7(4-8)13(18)19-12-6-10(16)9(15)5-11(12)17/h1-6H |
| InChIKey | BIDQITLPNYEMGC-UHFFFAOYSA-N |
| Molecular Weight | 380.452 g/mol |
| SMILES | C1=CC=C(C=C1C(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl)Br |