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1,1-Dimethoxy-2,4-dinitro-cyclohexadienyl anion

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1,1-Dimethoxy-2,4-dinitro-cyclohexadienyl anion
SpectraBase Compound ID KGtdR1tNgJT
InChI InChI=1S/C8H9N2O6/c1-15-8(16-2)4-3-6(9(11)12)5-7(8)10(13)14/h3-5H,1-2H3/q-1
InChIKey XNPHUSMEUSAMAF-UHFFFAOYSA-N
Mol Weight 229.17 g/mol
Molecular Formula C8H9N2O6
Exact Mass 229.046061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ci9Pz5FnzNt
Name 1,1-Dimethoxy-2,4-dinitro-cyclohexadienyl anion
CAS Registry Number 12128-33-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H9N2O6
InChI InChI=1S/C8H9N2O6/c1-15-8(16-2)4-3-6(9(11)12)5-7(8)10(13)14/h3-5H,1-2H3/q-1
InChIKey XNPHUSMEUSAMAF-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference G.A. Olah, H. Mayr, J. Org. Chem. 41, 3448 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6