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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 ROxuj3IRbu
Name Benzene, 1,3,5-trinitro-
CAS Registry Number 99-35-4
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 V. Machacek, V. Sterba, A. Lycka, J. Chem. Soc. Perkin II 355 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6