| SpectraBase Compound ID | 4Vs1w94uRoR |
|---|---|
| InChI | InChI=1S/C14H11BrO2/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | DUPARWHGHLJSTB-UHFFFAOYSA-N |
| Mol Weight | 291.14 g/mol |
| Molecular Formula | C14H11BrO2 |
| Exact Mass | 289.994243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8vDZTKtzP6x |
|---|---|
| Name | 2-Bromobenzoic acid, benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.994242592 u |
| Formula | C14H11BrO2 |
| InChI | InChI=1S/C14H11BrO2/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | DUPARWHGHLJSTB-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1)COC(C=1C(=CC=CC1)Br)=O |