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5-Chloro-2-[N-(diphenylmethylene)amino]pentanenitrile

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

5-Chloro-2-[N-(diphenylmethylene)amino]pentanenitrile
SpectraBase Compound ID FkC2QUWvYvx
InChI InChI=1S/C18H17ClN2/c19-13-7-12-17(14-20)21-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-13H2
InChIKey WUBLGUFGJHFLIT-UHFFFAOYSA-N
Mol Weight 296.8 g/mol
Molecular Formula C18H17ClN2
Exact Mass 296.108026 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AlRoy224cmI
Name 5-Chloro-2-[N-(diphenylmethylene)amino]pentanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.108026255 u
Formula C18H17ClN2
InChI InChI=1S/C18H17ClN2/c19-13-7-12-17(14-20)21-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-13H2
InChIKey WUBLGUFGJHFLIT-UHFFFAOYSA-N
Molecular Weight 296.801 g/mol
SMILES C(C(CCCCl)N=C(C=1C=CC=CC1)C=1C=CC=CC1)#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.817259