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2-[(2-Ethylphenyl)amino]-3,5-dinitrobenzonitrile

View entire compound with spectra: 1 FTIR

2-[(2-Ethylphenyl)amino]-3,5-dinitrobenzonitrile
SpectraBase Compound ID LDJQBQ1Dwes
InChI InChI=1S/C15H12N4O4/c1-2-10-5-3-4-6-13(10)17-15-11(9-16)7-12(18(20)21)8-14(15)19(22)23/h3-8,17H,2H2,1H3
InChIKey ZOAULHVVRUJGIR-UHFFFAOYSA-N
Mol Weight 312.29 g/mol
Molecular Formula C15H12N4O4
Exact Mass 312.085855 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FENHJMtuV5i
Name 2-[(2-Ethylphenyl)amino]-3,5-dinitrobenzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.085854878 u
Formula C15H12N4O4
InChI InChI=1S/C15H12N4O4/c1-2-10-5-3-4-6-13(10)17-15-11(9-16)7-12(18(20)21)8-14(15)19(22)23/h3-8,17H,2H2,1H3
InChIKey ZOAULHVVRUJGIR-UHFFFAOYSA-N
Molecular Weight 312.285 g/mol
SMILES C1(=C(C=C(C=C1C#N)N(=O)=O)N(=O)=O)NC1=C(C=CC=C1)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909374