| SpectraBase Compound ID | FoqffYLtemM |
|---|---|
| InChI | InChI=1S/C13H6BrCl3O2/c14-8-3-1-7(2-4-8)13(18)19-12-10(16)5-9(15)6-11(12)17/h1-6H |
| InChIKey | KCUMSMCBRPPKQR-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 | FrGWz1ReyNb |
|---|---|
| Name | 4-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/c14-8-3-1-7(2-4-8)13(18)19-12-10(16)5-9(15)6-11(12)17/h1-6H |
| InChIKey | KCUMSMCBRPPKQR-UHFFFAOYSA-N |
| Molecular Weight | 380.452 g/mol |
| SMILES | C(=O)(OC1=C(C=C(C=C1Cl)Cl)Cl)C1=CC=C(C=C1)Br |