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Metronidazole

View entire compound with spectra: 10 NMR, 4 FTIR, 2 Raman, and 14 MS (GC)

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 EHGeI5roo5K
Name METRONIDAZOLE
Compound Number 1
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 T.C.RAMALHO,M.BUEHL
Literature Reference Citation MAGN.RES.CHEM.,43,139(2005)
Literature Reference DOI 10.1002/mrc.1514
Molecular Weight 171.156 g/mol
Sample ID 27529
Solvent DMSO-D6