| SpectraBase Compound ID | 2CL8iHHE4vV |
|---|---|
| InChI | InChI=1S/C13H6BrCl3O2/c14-8-3-1-2-7(4-8)13(18)19-12-10(16)5-9(15)6-11(12)17/h1-6H |
| InChIKey | WTIWFUYQEIZQRW-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 | 878ZOEF2Jou |
|---|---|
| Name | 3-Bromobenzoic acid, 2,4,6-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)19-12-10(16)5-9(15)6-11(12)17/h1-6H |
| InChIKey | WTIWFUYQEIZQRW-UHFFFAOYSA-N |
| Molecular Weight | 380.452 g/mol |
| SMILES | C1(=CC(Cl)=C(C(=C1)Cl)OC(C1=CC=CC(=C1)Br)=O)Cl |