| SpectraBase Spectrum ID |
52LMLaOVO8E |
| Name |
2,2'-(5-Methyl-1,3-phenylene)-bis-(2-methylpropanenitrile);impurity-#ii |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.146998588 u |
| Formula |
C15H18N2 |
| InChI |
InChI=1S/C15H18N2/c1-11-6-12(14(2,3)9-16)8-13(7-11)15(4,5)10-17/h6-8H,1-5H3 |
| InChIKey |
SJECEXNMZXMXNE-UHFFFAOYSA-N |
| Molecular Weight |
226.323 g/mol |
| SMILES |
C(#N)C(C=1C=C(C=C(C)C1)C(C#N)(C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963366 |
