| SpectraBase Compound ID | 47OoUOAUxgP |
|---|---|
| InChI | InChI=1S/C14H10Br2O2/c15-12-5-1-3-10(7-12)9-18-14(17)11-4-2-6-13(16)8-11/h1-8H,9H2 |
| InChIKey | ZHTRBNOWVIURAE-UHFFFAOYSA-N |
| Mol Weight | 370.04 g/mol |
| Molecular Formula | C14H10Br2O2 |
| Exact Mass | 367.904756 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G3xcqVFuhDe |
|---|---|
| Name | 3-Bromobenzoic acid, 3-bromobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.904755560 u |
| Formula | C14H10Br2O2 |
| InChI | InChI=1S/C14H10Br2O2/c15-12-5-1-3-10(7-12)9-18-14(17)11-4-2-6-13(16)8-11/h1-8H,9H2 |
| InChIKey | ZHTRBNOWVIURAE-UHFFFAOYSA-N |
| Molecular Weight | 370.040 g/mol |
| SMILES | C1=CC=C(C=C1C(OCC1=CC(=CC=C1)Br)=O)Br |