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1,3,5-Trinitrobenzene
SpectraBase Compound ID 2a3qCRkkQ9I
InChI InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H
InChIKey UATJOMSPNYCXIX-UHFFFAOYSA-N
Mol Weight 213.1 g/mol
Molecular Formula C6H3N3O6
Exact Mass 213.002185 g/mol
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Acetonitrile-D3
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent DMSO-d6
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample The Edwal Laboratories, Inc., Ringwood, Illinois
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent C2D6SO dimethylsulfo
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent C2D6SO dimethylsulfo
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6;CR(ACAC)3=10G/L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Edwal Laboratories, Inc., Chicago, Illinois
Technique KBr WAFER
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O-35-888-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O-35-886-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O-35-886-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JC-518-31-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O-35-887-0
  • 1,3,5-TRINITROBENZENE;TNB
  • 1,3,5-TRINITROBENZENE;92-049
  • Benzene, 1,3,5-trinitro-
  • 2,4,6-TRINITROBENZENE
Title Journal or Book Year
Crystallography and Structure-Property Relationships in 2,2′,2″,2′′′,4,4′,4″,4′′′,6,6′,6″,6′′′-Dodecanitro-1,1′ : 3′1″ : 3″,1′′′- Quaterphenyl (DODECA) Propellants, Explosives, Pyrotechnics 2010
New Aspects of Impact Reactivity of Polynitro Compounds, Part II. Impact Sensitivity as“the First Reaction” of Polynitro Arenes Propellants, Explosives, Pyrotechnics 2003
15N, 13C, and 1H NMR spectra of 1-substituted-2,4,6-trinitrobenzenes Collection of Czechoslovak Chemical Communications 1987
A reassessment of nitrobenzene valence bond structures Journal of the American Chemical Society 1982

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