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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcjVWDTQXfJ
Name Metronidazole
Alternate Name(s) Flagyl 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethanol 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethan-1-ol
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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
Molecular Weight 171.156 g/mol
SMILES OCC[n]1c(N(=O)=O)cnc1C
SPLASH splash10-0ul0-9300000000-67a7771f33d7d58dba2f
Source of Spectrum SWG-33-2998-0
Wiley ID 1809978