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2-Amino-5-(phenyl)benzene-1,3-dicarbonitrile

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

2-Amino-5-(phenyl)benzene-1,3-dicarbonitrile
SpectraBase Compound ID Bg7C2OpcB9f
InChI InChI=1S/C14H9N3/c15-8-12-6-11(7-13(9-16)14(12)17)10-4-2-1-3-5-10/h1-7H,17H2
InChIKey YHRWTUXNZDWLCF-UHFFFAOYSA-N
Mol Weight 219.25 g/mol
Molecular Formula C14H9N3
Exact Mass 219.079647 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JliBQ38yBI
Name 2-Amino-5-phenylbenzene-1,3-dicarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.079647302 u
Formula C14H9N3
InChI InChI=1S/C14H9N3/c15-8-12-6-11(7-13(9-16)14(12)17)10-4-2-1-3-5-10/h1-7H,17H2
InChIKey YHRWTUXNZDWLCF-UHFFFAOYSA-N
Molecular Weight 219.247 g/mol
SMILES C(#N)C1=C(N)C(C#N)=CC(C2=CC=CC=C2)=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872045