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2,4,6-Trinitrotoluene

Compound with spectra: 12 NMR, 1 FTIR, and 11 MS (GC)

2,4,6-Trinitrotoluene
SpectraBase Compound ID 3eF4ZueyGup
InChI InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3
InChIKey SPSSULHKWOKEEL-UHFFFAOYSA-N
Mol Weight 227.13 g/mol
Molecular Formula C7H5N3O6
Exact Mass 227.017835 g/mol

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1H NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent Acetonitrile-D3

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1H NMR Spectrum
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Polysol

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13C NMR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka AG, Buchs, Switzerland
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent C2D6SO dimethylsulfo

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13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

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15N NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6;CR(ACAC)3=10G/L

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15N NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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15N NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

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FTIR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Technique CAPILLARY CELL: MELT

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MS (GC) Spectrum
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS

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MS (GC) Spectrum
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS

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MS (GC) Spectrum
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS

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MS (GC) Spectrum
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS

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MS (GC) Spectrum
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Spectrum Dr. Rolf Kuehnle
Technique GC/MS

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O-14-586-1

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum W5-0-0-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O-26-868-1

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SEP-31-1410-TNT (DOI: 10.1002/jssc.200700561)

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JC-518-31-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O-30-715-0
  • TNT
  • 2,4,6-TRINITRO-TOLUENE;TNT
  • 1-METHYL-2,4,6-TRINITROBENZENE;TNT
  • 2,4,6-TRINITROTOLUENE;92-050
  • 2,4,6-Trinitrotoluol
  • 1-Methyl-2,4,6-trinitrobenzene
  • Benzene, 2-methyl-1,3,5-trinitro-
  • 1,3,5-Trinitrotoluene
  • 2-Methyl-1,3,5-trinitro-benzene
  • TNT-tolite
  • .alpha.-TNT
  • Tolite
  • Tritol
  • Trotyl
  • Gradetol
  • Trotyl oil
  • Trinitrotoluene
  • Trojnitrotoluen
  • s-Trinitrotoluol
  • s-Trinitrotoluene
  • sym-Trinitrotoluol
  • Tritol (explosive)
  • sym-Trinitrotoluene
  • Trinitrotoluene, dry
  • Trinitrotoluene, wet
  • 2,4,6-Trinitrotolueen
  • Toluene, 2,4,6-trinitro-
  • TOLIT
  • CCRIS 1299
  • HSDB 1146
  • NCI-C56155
  • EINECS 204-289-6
  • NSC 36949
  • 2,4,6-TNT
  • UN0209
  • UN1356
2,4,6-Trinitro-1-t(rideuteriomethyl)-3,5-dideuteriobenzene
2,4,6-Trinitro-.alpha., .alpha., .alpha.-trideuterotoluene
2,4,6-Trinitro-3,5-dideuteriotoluene
4-Chloro-3,5-dinitro-benzonitrile
2,4-Dinitrophenyl-hydroxylamine
4-Amino-2-nitrobenzoic acid
4-Dimethylamino-2-nitrobenzaldehyde
Hexadecanoic acid (3,5-dinitrophenyl)methyl ester
3,5-Dinitrobenzoic acid ethyl ester
3-allyl-4-nitrobenzonitrile
(E)-4-Methoxy-2-nitro-1-(prop-1-enyl)benzene
[(E)-2-(4-fluoro-2-nitro-phenyl)vinyl]-dimethyl-amine
4-(2'-Nitrobenzyl)benzonitrile
Title Journal or Book Year
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

This compound is available in the following databases:

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The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

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