| SpectraBase Compound ID | IB97x9MHO0y |
|---|---|
| InChI | InChI=1S/C13H8BrClO2/c14-10-7-5-9(6-8-10)13(16)17-12-4-2-1-3-11(12)15/h1-8H |
| InChIKey | NIFUYNDYIWECMX-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 | Bb9e8GnzvCA |
|---|---|
| Name | 4-Bromobenzoic acid, 2-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/c14-10-7-5-9(6-8-10)13(16)17-12-4-2-1-3-11(12)15/h1-8H |
| InChIKey | NIFUYNDYIWECMX-UHFFFAOYSA-N |
| Molecular Weight | 311.562 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OC1=CC=CC=C1Cl)=O)Br |