| SpectraBase Compound ID | AQXlHddGA9k |
|---|---|
| InChI | InChI=1S/C12H10BrN/c13-12-9-5-4-8-11(12)7-3-1-2-6-10-14/h4-5,8-9H,1-2,6H2 |
| InChIKey | AUHQPONTISOTAG-UHFFFAOYSA-N |
| Mol Weight | 248.12 g/mol |
| Molecular Formula | C12H10BrN |
| Exact Mass | 246.999662 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B5TiqXMU2j3 |
|---|---|
| Name | 6-(2-Bromophenyl)hex-5-ynenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H10BrN |
| InChI | InChI=1S/C12H10BrN/c13-12-9-5-4-8-11(12)7-3-1-2-6-10-14/h4-5,8-9H,1-2,6H2 |
| InChIKey | AUHQPONTISOTAG-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/ol201970m |
| Molecular Weight | 248.123 g/mol |
| SMILES | c1cc(C#CCCCC#N)c(Br)cc1 |
| SPLASH | splash10-0v00-4930000000-2b95c514101b830d0042 |
| Source of Spectrum | A1-13-5100/SMS5-1i |
| Wiley ID | 1753712 |