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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3qRuyC22j2B
Name 2,4,6-TRINITROBENZENE
Comments GI
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H3N3O6
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
Instrument Name Jeol FX-100
Literature Reference A.LYCKA, V.MACHACEK, J.JIRMAN (1987) Coll.Czech.Chem.Comm.: v.52, N12, 2946-2952.
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo