![1-[(E)-2-bromanylethenyl]-4-(2-phenylethynyl)benzene](/api/spectrum/D1Dp9t8wAqo/structure.png?h=300&w=458 "1-[(E)-2-bromanylethenyl]-4-(2-phenylethynyl)benzene")
| SpectraBase Compound ID | 7Ap5ASU3ibO |
|---|---|
| InChI | InChI=1S/C16H11Br/c17-13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-13H/b13-12+ |
| InChIKey | GKPRLVDDCWXBBO-OUKQBFOZSA-N |
| Mol Weight | 283.17 g/mol |
| Molecular Formula | C16H11Br |
| Exact Mass | 282.004413 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D1Dp9t8wAqo |
|---|---|
| Name | 1-[(E)-2-Bromanylethenyl]-4-(2-phenylethynyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.004413354 u |
| Formula | C16H11Br |
| InChI | InChI=1S/C16H11Br/c17-13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-13H/b13-12+ |
| InChIKey | GKPRLVDDCWXBBO-OUKQBFOZSA-N |
| SMILES | C(#CC1=CC=CC=C1)C=1C=CC(\C=C\Br)=CC1 |