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5/6-NITRO-1-METHYL-2-(1-METHYL-1,2,5,6-TETRAHYDROPYRIDIN-3-YL)-1H-BENZIMIDAZOLE
SpectraBase Compound ID 1TNmqNsNWhe
InChI InChI=1S/2C14H16N4O2/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*4-6,8H,3,7,9H2,1-2H3
InChIKey VCTGSZMDFHIOQC-UHFFFAOYSA-N
Mol Weight 544.62 g/mol
Molecular Formula C28H32N8O4
Exact Mass 544.254652 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9aFn17jc6SX
Name 5/6-NITRO-1-METHYL-2-(1-METHYL-1,2,5,6-TETRAHYDROPYRIDIN-3-YL)-1H-BENZIMIDAZOLE
Compound Number 8ABD
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H32N8O4
InChI InChI=1S/2C14H16N4O2/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*4-6,8H,3,7,9H2,1-2H3
InChIKey VCTGSZMDFHIOQC-UHFFFAOYSA-N
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 544.613 g/mol
Solvent CD3OD
Source File Reference UWMS22315