| SpectraBase Spectrum ID |
IxAi2EjVUN3 |
| Name |
2,4-bis(p-Chlorphenyl)-5-cyanotmethylen-2-methyl-1,2,3,6-tetrahydropyridine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.059551867 u |
| Formula |
C22H14Cl2N4 |
| InChI |
InChI=1S/C22H14Cl2N4/c1-22(16-4-8-18(24)9-5-16)10-19(14-2-6-17(23)7-3-14)20(13-27)21(28-22)15(11-25)12-26/h2-9,28H,10H2,1H3 |
| InChIKey |
RNXGXBOKBXDQKY-UHFFFAOYSA-N |
| Molecular Weight |
405.288 g/mol |
| SMILES |
C1(NC(C(=C(C1)C1=CC=C(C=C1)Cl)C#N)=C(C#N)C#N)(C)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806064 |
