![Methyl 3-[2-(4-bromophenyl)-1-ethenyl]benzoate](/api/spectrum/EJFx0xwyI0h/structure.png?h=300&w=458 "Methyl 3-[2-(4-bromophenyl)-1-ethenyl]benzoate")
| SpectraBase Compound ID | GEzNoxxujh4 |
|---|---|
| InChI | InChI=1S/C16H13BrO2/c1-19-16(18)14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h2-11H,1H3/b3-2+ |
| InChIKey | HBSABNZEDAUSDJ-NSCUHMNNSA-N |
| Mol Weight | 317.18 g/mol |
| Molecular Formula | C16H13BrO2 |
| Exact Mass | 316.009893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EJFx0xwyI0h |
|---|---|
| Name | Methyl 3-[2-(4-bromophenyl)-1-ethenyl]benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.009892657 u |
| Formula | C16H13BrO2 |
| InChI | InChI=1S/C16H13BrO2/c1-19-16(18)14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h2-11H,1H3/b3-2+ |
| InChIKey | HBSABNZEDAUSDJ-NSCUHMNNSA-N |
| Molecular Weight | 317.182 g/mol |
| SMILES | c1(ccc(cc1)\C=C\c1ccc(cc1)C(=O)OC)Br |