| SpectraBase Spectrum ID |
7tVgSAkmTQo |
| Name |
3,3,4,4-Tetracyano-5,6-diphenyl-2-(p-chlorophenylimino)-2,3,4,5-tetrahydropyridine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.104672207 u |
| Formula |
C27H15ClN6 |
| InChI |
InChI=1S/C27H15ClN6/c28-21-11-13-22(14-12-21)33-25-27(17-31,18-32)26(15-29,16-30)23(19-7-3-1-4-8-19)24(34-25)20-9-5-2-6-10-20/h1-14,23H/b33-25- |
| InChIKey |
AEFYBTGAYFXIKK-IVQJCJPDSA-N |
| Molecular Weight |
458.912 g/mol |
| SMILES |
C1(C(C(C=2C=CC=CC2)C(=N\C1=N\C1=CC=C(C=C1)Cl)C1=CC=CC=C1)(C#N)C#N)(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847711 |
