| SpectraBase Spectrum ID |
5LGqbBi4yyi |
| Name |
2,2'-[5-(Bromomethyl)-1,3-phenylene]-bis-(2-methylpropanenitrile);impurity-#iii |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.057511555 u |
| Formula |
C15H17BrN2 |
| InChI |
InChI=1S/C15H17BrN2/c1-14(2,9-17)12-5-11(8-16)6-13(7-12)15(3,4)10-18/h5-7H,8H2,1-4H3 |
| InChIKey |
IHXHGCDOJLOZML-UHFFFAOYSA-N |
| Molecular Weight |
305.219 g/mol |
| SMILES |
C(#N)C(C=1C=C(C=C(CBr)C1)C(C#N)(C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953175 |
![2,2'-[5-(Bromomethyl)-1,3-phenylene]-bis-(2-methylpropanenitrile);impurity-#iii](/api/spectrum/5LGqbBi4yyi/structure.png?h=300&w=458 "2,2'-[5-(Bromomethyl)-1,3-phenylene]-bis-(2-methylpropanenitrile);impurity-#iii")
