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2,6-Dicyano-5-methyl-3-(4-methylphenyl)aniline

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

2,6-Dicyano-5-methyl-3-(4-methylphenyl)aniline
SpectraBase Compound ID E3ffwewcP8b
InChI InChI=1S/C16H13N3/c1-10-3-5-12(6-4-10)13-7-11(2)14(8-17)16(19)15(13)9-18/h3-7H,19H2,1-2H3
InChIKey DOBJLXDCUZVONE-UHFFFAOYSA-N
Mol Weight 247.3 g/mol
Molecular Formula C16H13N3
Exact Mass 247.110947 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8LwU4taOyJS
Name 2,6-Dicyano-5-methyl-3-(4-methylphenyl)aniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.110947431 u
Formula C16H13N3
InChI InChI=1S/C16H13N3/c1-10-3-5-12(6-4-10)13-7-11(2)14(8-17)16(19)15(13)9-18/h3-7H,19H2,1-2H3
InChIKey DOBJLXDCUZVONE-UHFFFAOYSA-N
Molecular Weight 247.301 g/mol
SMILES C=1(C(=C(C#N)C(=CC1C1=CC=C(C=C1)C)C)N)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934969