SpectraBase Spectrum ID |
FWR9LfzdYXT |
Name |
2-[4-[Cyano-[4-(dipropylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]malononitrile |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
354.184446724 u |
Formula |
C23H22N4 |
InChI |
InChI=1S/C23H22N4/c1-3-13-27(14-4-2)22-11-9-20(10-12-22)23(17-26)19-7-5-18(6-8-19)21(15-24)16-25/h5-12H,3-4,13-14H2,1-2H3 |
InChIKey |
WQYYVBCKQFSYHL-UHFFFAOYSA-N |
Molecular Weight |
354.457 g/mol |
SMILES |
C(C=1C=CC(N(CCC)CCC)=CC1)(=C1C=CC(=C(C#N)C#N)C=C1)C#N |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805636 |