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5-NITRO-2-(1-METHYL)-PYRIDINIUM-3-YL-1H-BENZIMIDAZOLE-IODIDE
SpectraBase Compound ID 3k5tt9Up70E
InChI InChI=1S/C13H11N4O2.HI/c1-16-6-2-3-9(8-16)13-14-11-5-4-10(17(18)19)7-12(11)15-13;/h2-8H,1H3,(H,14,15);1H/q+1;/p-1
InChIKey LWROZQUFTFRQQX-UHFFFAOYSA-M
Mol Weight 382.16 g/mol
Molecular Formula C13H11IN4O2
Exact Mass 381.992671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJlP1emxESm
Name 5-NITRO-2-(1-METHYL)-PYRIDINIUM-3-YL-1H-BENZIMIDAZOLE-IODIDE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11IN4O2
InChI InChI=1S/C13H11N4O2.HI/c1-16-6-2-3-9(8-16)13-14-11-5-4-10(17(18)19)7-12(11)15-13;/h2-8H,1H3,(H,14,15);1H/q+1;/p-1
InChIKey LWROZQUFTFRQQX-UHFFFAOYSA-M
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 382.160 g/mol
Solvent DMSO-D6
Source File Reference UWMS22293