| SpectraBase Compound ID | G0Y13MT2Va |
|---|---|
| InChI | InChI=1S/C15H11BrO3/c16-13-8-4-7-12(9-13)15(18)19-10-14(17)11-5-2-1-3-6-11/h1-9H,10H2 |
| InChIKey | GDXLALKWDACHEQ-UHFFFAOYSA-N |
| Mol Weight | 319.15 g/mol |
| Molecular Formula | C15H11BrO3 |
| Exact Mass | 317.989157 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3AoicuKcYbi |
|---|---|
| Name | Benzoic acid, 3-bromo-, 2-oxo-2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.989157211 u |
| Formula | C15H11BrO3 |
| InChI | InChI=1S/C15H11BrO3/c16-13-8-4-7-12(9-13)15(18)19-10-14(17)11-5-2-1-3-6-11/h1-9H,10H2 |
| InChIKey | GDXLALKWDACHEQ-UHFFFAOYSA-N |
| Molecular Weight | 319.154 g/mol |
| SMILES | C(OCC(=O)C1=CC=CC=C1)(=O)C1=CC(Br)=CC=C1 |