| SpectraBase Compound ID | 4deuzViGZpf |
|---|---|
| InChI | InChI=1S/C19H13BrO2/c20-17-8-4-7-16(13-17)19(21)22-18-11-9-15(10-12-18)14-5-2-1-3-6-14/h1-13H |
| InChIKey | HHUWNSSMBHPCEF-UHFFFAOYSA-N |
| Mol Weight | 353.22 g/mol |
| Molecular Formula | C19H13BrO2 |
| Exact Mass | 352.009893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K3K2DsKYerf |
|---|---|
| Name | 3-Bromobenzoic acid, 4-biphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.009892657 u |
| Formula | C19H13BrO2 |
| InChI | InChI=1S/C19H13BrO2/c20-17-8-4-7-16(13-17)19(21)22-18-11-9-15(10-12-18)14-5-2-1-3-6-14/h1-13H |
| InChIKey | HHUWNSSMBHPCEF-UHFFFAOYSA-N |
| Molecular Weight | 353.215 g/mol |
| SMILES | C1=CC=C(C=C1C(=O)OC1=CC=C(C2=CC=CC=C2)C=C1)Br |