| SpectraBase Compound ID | 3dJLgWBy4Er |
|---|---|
| InChI | InChI=1S/C13H8BrClO2/c14-12-7-2-1-6-11(12)13(16)17-10-5-3-4-9(15)8-10/h1-8H |
| InChIKey | RWTBFAGPJDZGRW-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 | F2UJd0HaYkQ |
|---|---|
| Name | 2-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/c14-12-7-2-1-6-11(12)13(16)17-10-5-3-4-9(15)8-10/h1-8H |
| InChIKey | RWTBFAGPJDZGRW-UHFFFAOYSA-N |
| Molecular Weight | 311.562 g/mol |
| SMILES | C1=C(C=C(C=C1)OC(=O)C=1C=CC=CC1Br)Cl |