| SpectraBase Compound ID | BjKJyVlY96D |
|---|---|
| InChI | InChI=1S/C13H8BrClO2/c14-10-6-4-9(5-7-10)13(16)17-12-3-1-2-11(15)8-12/h1-8H |
| InChIKey | VVCFAXMOLAWYDD-UHFFFAOYSA-N |
| Mol Weight | 311.56 g/mol |
| Molecular Formula | C13H8BrClO2 |
| Exact Mass | 309.93962 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | jxqQFNsLo8 |
|---|---|
| Name | 4-Bromobenzoic acid, 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.939620196 u |
| Formula | C13H8BrClO2 |
| InChI | InChI=1S/C13H8BrClO2/c14-10-6-4-9(5-7-10)13(16)17-12-3-1-2-11(15)8-12/h1-8H |
| InChIKey | VVCFAXMOLAWYDD-UHFFFAOYSA-N |
| Molecular Weight | 311.562 g/mol |
| SMILES | C(=O)(OC1=CC=CC(=C1)Cl)C=1C=CC(=CC1)Br |