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2-(4-Nitrophenyl)-2,3-diphenylbutyronitrile

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

2-(4-Nitrophenyl)-2,3-diphenylbutyronitrile
SpectraBase Compound ID Anl55dcBQJz
InChI InChI=1S/C22H18N2O2/c1-17(18-8-4-2-5-9-18)22(16-23,19-10-6-3-7-11-19)20-12-14-21(15-13-20)24(25)26/h2-15,17H,1H3
InChIKey SXIVKOVVUWSOFC-UHFFFAOYSA-N
Mol Weight 342.4 g/mol
Molecular Formula C22H18N2O2
Exact Mass 342.136828 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3S2upW9VeJM
Name 2-(4-Nitrophenyl)-2,3-diphenylbutyronitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.136827826 u
Formula C22H18N2O2
InChI InChI=1S/C22H18N2O2/c1-17(18-8-4-2-5-9-18)22(16-23,19-10-6-3-7-11-19)20-12-14-21(15-13-20)24(25)26/h2-15,17H,1H3
InChIKey SXIVKOVVUWSOFC-UHFFFAOYSA-N
Molecular Weight 342.398 g/mol
SMILES C(C(C(C)C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC(=CC1)N(=O)=O)#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.849635