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2-[4-[Cyano-[4-(dipropylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]malononitrile
SpectraBase Compound ID J4HBoJxnrVb
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
Mol Weight 354.46 g/mol
Molecular Formula C23H22N4
Exact Mass 354.184447 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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