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1-Methyl-4-methylthio-5-nitro-imidazole
SpectraBase Compound ID KGtMgl0MnHQ
InChI InChI=1S/C5H7N3O2S/c1-7-3-6-4(11-2)5(7)8(9)10/h3H,1-2H3
InChIKey LLNJATBTLQRLNM-UHFFFAOYSA-N
Mol Weight 173.19 g/mol
Molecular Formula C5H7N3O2S
Exact Mass 173.025898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmfUFiJBwrq
Name 1-Methyl-4-methylthio-5-nitro-imidazole
CAS Registry Number 113121-56-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H7N3O2S
InChI InChI=1S/C5H7N3O2S/c1-7-3-6-4(11-2)5(7)8(9)10/h3H,1-2H3
InChIKey LLNJATBTLQRLNM-UHFFFAOYSA-N
Instrument Name Bruker WP-200
Literature Reference J.G. Buchanan, A.E. McCraig, R.H. Wightman, J. Chem. Soc. Perkin I 955 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6