![4-[(E)-2-(2-bromophenyl)ethenyl]benzoic acid methyl ester](/api/spectrum/CXIeLMHrdE2/structure.png?h=300&w=458 "4-[(E)-2-(2-bromophenyl)ethenyl]benzoic acid methyl ester")
| SpectraBase Compound ID | 1o5Y2jyzZv6 |
|---|---|
| InChI | InChI=1S/C16H13BrO2/c1-19-16(18)14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)17/h2-11H,1H3/b9-6+ |
| InChIKey | BMWDXBXAJGCSDH-RMKNXTFCSA-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 | CXIeLMHrdE2 |
|---|---|
| Name | 4-[(E)-2-(2-Bromophenyl)ethenyl]benzoic acid methyl ester |
| 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)14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)17/h2-11H,1H3/b9-6+ |
| InChIKey | BMWDXBXAJGCSDH-RMKNXTFCSA-N |
| Molecular Weight | 317.182 g/mol |
| SMILES | C=1(\C=C\C=2C=CC(=CC2)C(=O)OC)C(=CC=CC1)Br |