| SpectraBase Compound ID | DIsaz8HM5V7 |
|---|---|
| InChI | InChI=1S/C13H9BrO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16) |
| InChIKey | UTHDVFIFIMWTJQ-UHFFFAOYSA-N |
| Mol Weight | 277.12 g/mol |
| Molecular Formula | C13H9BrO2 |
| Exact Mass | 275.978593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AGbh04OQmXL |
|---|---|
| Name | 4-(4-Bromophenyl)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.978592528 u |
| Formula | C13H9BrO2 |
| InChI | InChI=1S/C13H9BrO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16) |
| InChIKey | UTHDVFIFIMWTJQ-UHFFFAOYSA-N |
| Molecular Weight | 277.117 g/mol |
| SMILES | C1=C(C=CC(=C1)C1=CC=C(C=C1)C(O)=O)Br |