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3,5-Dinitro-benzoic acid, methyl ester
SpectraBase Compound ID mkTWhPnb6v
InChI InChI=1S/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H3
InChIKey POGCCFLNFPIIGW-UHFFFAOYSA-N
Mol Weight 226.14 g/mol
Molecular Formula C8H6N2O6
Exact Mass 226.022586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CRx2ifzA9kK
Name 3,5-Dinitro-benzoic acid, methyl ester
CAS Registry Number 2702-58-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H6N2O6
InChI InChI=1S/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H3
InChIKey POGCCFLNFPIIGW-UHFFFAOYSA-N
Instrument Name Varian HA-100
Literature Reference G.L. Thompson, L.A. Paquette, J. Am. Chem. Soc. 96, 3177 (1974).
NMR Standard TMS Ext.
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone