For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-Cyano-2-t-butyl-N-(4'-tert-butylphenylamido)benzonitrile

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

4-Cyano-2-t-butyl-N-(4'-tert-butylphenylamido)benzonitrile
SpectraBase Compound ID 9CSwJFfneOm
InChI InChI=1S/C22H26N2O/c1-21(2,3)17-10-8-16(9-11-17)20(25)24-19-12-7-15(14-23)13-18(19)22(4,5)6/h7-13H,1-6H3,(H,24,25)
InChIKey JMQGNJNGIAAMMJ-UHFFFAOYSA-N
Mol Weight 334.46 g/mol
Molecular Formula C22H26N2O
Exact Mass 334.204513 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9l7XiJ0cCEL
Name 4-Cyano-2-T-butyl-N-(4'-tert-butylphenylamido)benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.204513464 u
Formula C22H26N2O
InChI InChI=1S/C22H26N2O/c1-21(2,3)17-10-8-16(9-11-17)20(25)24-19-12-7-15(14-23)13-18(19)22(4,5)6/h7-13H,1-6H3,(H,24,25)
InChIKey JMQGNJNGIAAMMJ-UHFFFAOYSA-N
Molecular Weight 334.463 g/mol
SMILES C(NC1=C(C(C)(C)C)C=C(C#N)C=C1)(C1=CC=C(C(C)(C)C)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932606