SpectraBase Spectrum ID |
5thNHki2jaa |
Name |
Propanedinitrile, 2-(1-methyl-2,6-diphenyl-4(1H)-pyridinylidene)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
309.126597495 u |
Formula |
C21H15N3 |
InChI |
InChI=1S/C21H15N3/c1-24-20(16-8-4-2-5-9-16)12-18(19(14-22)15-23)13-21(24)17-10-6-3-7-11-17/h2-13H,1H3 |
InChIKey |
JWWKGENTSPIMLK-UHFFFAOYSA-N |
SMILES |
CN1C(=CC(C=C1C1=CC=CC=C1)=C(C#N)C#N)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898555 |