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N-(4',5-Dinitro-[1,1'-biphenyl]-2-yl)pyridin-2-amine

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

N-(4',5-Dinitro-[1,1'-biphenyl]-2-yl)pyridin-2-amine
SpectraBase Compound ID HfCGQWPfF4G
InChI InChI=1S/C17H12N4O4/c22-20(23)13-6-4-12(5-7-13)15-11-14(21(24)25)8-9-16(15)19-17-3-1-2-10-18-17/h1-11H,(H,18,19)
InChIKey LMKIGKIIFCUUKM-UHFFFAOYSA-N
Mol Weight 336.31 g/mol
Molecular Formula C17H12N4O4
Exact Mass 336.085855 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EntQywRWiyP
Name N-(4',5-Dinitro-[1,1'-biphenyl]-2-yl)pyridin-2-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.085854878 u
Formula C17H12N4O4
InChI InChI=1S/C17H12N4O4/c22-20(23)13-6-4-12(5-7-13)15-11-14(21(24)25)8-9-16(15)19-17-3-1-2-10-18-17/h1-11H,(H,18,19)
InChIKey LMKIGKIIFCUUKM-UHFFFAOYSA-N
Molecular Weight 336.307 g/mol
SMILES C=1C=CC(NC=2C(=CC(=CC2)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-])=NC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975956