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5-Cyano-4,5-diphenyl-1-methyl-4-.alpha.-pyridyl-.delta.2-imidazoline
SpectraBase Compound ID aj4QaWNA6s
InChI InChI=1S/C22H18N4/c1-26-17-25-22(19-12-6-3-7-13-19,20-14-8-9-15-24-20)21(26,16-23)18-10-4-2-5-11-18/h2-15,17H,1H3/t21?,22-/m1/s1
InChIKey QKZSQVKXPBZUAW-FOIFJWKZSA-N
Mol Weight 338.41 g/mol
Molecular Formula C22H18N4
Exact Mass 338.153147 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FXIqhoAwT6y
Name 5-Cyano-4,5-diphenyl-1-methyl-4-.alpha.-pyridyl-.delta.2-imidazoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.153146596 u
Formula C22H18N4
InChI InChI=1S/C22H18N4/c1-26-17-25-22(19-12-6-3-7-13-19,20-14-8-9-15-24-20)21(26,16-23)18-10-4-2-5-11-18/h2-15,17H,1H3/t21?,22-/m1/s1
InChIKey QKZSQVKXPBZUAW-FOIFJWKZSA-N
Molecular Weight 338.414 g/mol
SMILES [C@@]1(C(N(C)C=N1)(C#N)C1=CC=CC=C1)(C1=NC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948472