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2-[(3-Methyl-1-phenylbutylidene)amino]benzonitrile

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2-[(3-Methyl-1-phenylbutylidene)amino]benzonitrile
SpectraBase Compound ID 3n3v0JBFBuQ
InChI InChI=1S/C18H18N2/c1-14(2)12-18(15-8-4-3-5-9-15)20-17-11-7-6-10-16(17)13-19/h3-11,14H,12H2,1-2H3/b20-18+
InChIKey BFZNBGGXJWFVJY-CZIZESTLSA-N
Mol Weight 262.36 g/mol
Molecular Formula C18H18N2
Exact Mass 262.146999 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GkFKqAdxeQt
Name 2-[(3-Methyl-1-phenylbutylidene)amino]benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.146998588 u
Formula C18H18N2
InChI InChI=1S/C18H18N2/c1-14(2)12-18(15-8-4-3-5-9-15)20-17-11-7-6-10-16(17)13-19/h3-11,14H,12H2,1-2H3/b20-18+
InChIKey BFZNBGGXJWFVJY-CZIZESTLSA-N
Molecular Weight 262.356 g/mol
SMILES C(\C(=N/C=1C(C#N)=CC=CC1)C=1C=CC=CC1)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917898