| SpectraBase Spectrum ID |
JIM0E5j426b |
| Name |
3,3,4,4-Tetracyano-5,6-diphenyl-2-(phenylimino)-3,4-dihydropyridine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.143644539 u |
| Formula |
C27H16N6 |
| InChI |
InChI=1S/C27H16N6/c28-16-26(17-29)23(20-10-4-1-5-11-20)24(21-12-6-2-7-13-21)33-25(27(26,18-30)19-31)32-22-14-8-3-9-15-22/h1-15H,(H,32,33) |
| InChIKey |
YPTUGIYXPPYRGZ-UHFFFAOYSA-N |
| Molecular Weight |
424.467 g/mol |
| SMILES |
C1(C(\C(=N\C=2C=CC=CC2)NC(=C1C=1C=CC=CC1)C1=CC=CC=C1)(C#N)C#N)(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832681 |
