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1-[2-(2-METHYL-5-NITRO-IMIDAZOL-1-YL)-ETHYL]-4-TERT.-BUTYL-PYRIDINIUM-CHLORIDE
SpectraBase Compound ID rDa3Q37RsC
InChI InChI=1S/C15H21N4O2.ClH/c1-12-16-11-14(19(20)21)18(12)10-9-17-7-5-13(6-8-17)15(2,3)4;/h5-8,11H,9-10H2,1-4H3;1H/q+1;/p-1
InChIKey LHODEWDZQZDVGD-UHFFFAOYSA-M
Mol Weight 324.81 g/mol
Molecular Formula C15H21ClN4O2
Exact Mass 324.135304 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Guh4jZxCx8C
Name 1-[2-(2-METHYL-5-NITRO-IMIDAZOL-1-YL)-ETHYL]-4-TERT.-BUTYL-PYRIDINIUM-CHLORIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H21ClN4O2
InChI InChI=1S/C15H21N4O2.ClH/c1-12-16-11-14(19(20)21)18(12)10-9-17-7-5-13(6-8-17)15(2,3)4;/h5-8,11H,9-10H2,1-4H3;1H/q+1;/p-1
InChIKey LHODEWDZQZDVGD-UHFFFAOYSA-M
Literature Reference Author E.ALCALDE,L.MANOS,N.VALLS,J.ELGUERO
Literature Reference Citation J.HETCYCL.CHEM.,21,1647(1984)
Literature Reference DOI 10.1002/jhet.5570210615
Molecular Weight 324.810 g/mol
Solvent DMSO-D6
Source File Reference UWED7727