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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) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7koF087l5Ug
Name Metronidazole
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 226742
CAS Registry Number 443-48-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. 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
Observed nucleus 13C
Purity 99%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_003470