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Metronidazole
SpectraBase Compound ID JFkJwk2sULC
InChI InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
InChIKey VAOCPAMSLUNLGC-UHFFFAOYSA-N
Mol Weight 171.16 g/mol
Molecular Formula C6H9N3O3
Exact Mass 171.064391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8GCabMZST1m
Name METRONIDAZOLE;1-(2-HYDROXY-ETHYL)-2-METHYL-5-NITRO-IMIDAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H9N3O3
InChI InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
InChIKey VAOCPAMSLUNLGC-UHFFFAOYSA-N
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 171.156 g/mol
Solvent DMSO-D6
Source File Reference UWED7720