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Butanenitrile, 4-(4-methylpiperazin-1-yl)-2,2-diphenyl-

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

Butanenitrile, 4-(4-methylpiperazin-1-yl)-2,2-diphenyl-
SpectraBase Compound ID H9liB0ZHZAs
InChI InChI=1S/C21H25N3/c1-23-14-16-24(17-15-23)13-12-21(18-22,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11H,12-17H2,1H3
InChIKey IBKOFEBLTIVRPC-UHFFFAOYSA-N
Mol Weight 319.45 g/mol
Molecular Formula C21H25N3
Exact Mass 319.204848 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KwEYVSQD1Et
Name Butanenitrile, 4-(4-methylpiperazin-1-yl)-2,2-diphenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.204847817 u
Formula C21H25N3
InChI InChI=1S/C21H25N3/c1-23-14-16-24(17-15-23)13-12-21(18-22,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11H,12-17H2,1H3
InChIKey IBKOFEBLTIVRPC-UHFFFAOYSA-N
Molecular Weight 319.452 g/mol
SMILES C(C#N)(CCN1CCN(C)CC1)(C=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948127