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1-METHYL-5/6-NITRO-2-(1-METHYL)-PYRIDINIUM-3-YL-1H-BENZIMIDAZOLE-IODIDE
SpectraBase Compound ID 8TP7teAHUOq
InChI InChI=1S/2C14H13N4O2.2HI/c1-16-7-3-4-10(9-16)14-15-12-8-11(18(19)20)5-6-13(12)17(14)2;1-16-7-3-4-10(9-16)14-15-12-6-5-11(18(19)20)8-13(12)17(14)2;;/h2*3-9H,1-2H3;2*1H/q2*+1;;/p-2
InChIKey JXPSHHFOLYUKEC-UHFFFAOYSA-L
Mol Weight 792.37695 g/mol
Molecular Formula C28H26I2N8O4
Exact Mass 792.016641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hp3N0pV0kYd
Name 1-METHYL-5/6-NITRO-2-(1-METHYL)-PYRIDINIUM-3-YL-1H-BENZIMIDAZOLE-IODIDE
Compound Number 7ABD
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H26I2N8O4
InChI InChI=1S/2C14H13N4O2.2HI/c1-16-7-3-4-10(9-16)14-15-12-8-11(18(19)20)5-6-13(12)17(14)2;1-16-7-3-4-10(9-16)14-15-12-6-5-11(18(19)20)8-13(12)17(14)2;;/h2*3-9H,1-2H3;2*1H/q2*+1;;/p-2
InChIKey JXPSHHFOLYUKEC-UHFFFAOYSA-L
Literature Reference Author M.H.JUNG,J.M.PARK,I.Y.C.LEE,M.AHN
Literature Reference Citation J.HETCYCL.CHEM.,40,37(2003)
Literature Reference DOI 10.1002/jhet.5570400104
Molecular Weight 792.375 g/mol
Solvent DMSO-D6
Source File Reference UWMS22309