1,3,5-Trinitrobenzene
Compound with spectra: 15 NMR, 1 FTIR, and 5 MS (GC)
| 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 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
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Wiley Registry of Mass Spectral Data 2023
Author: Wiley
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