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2,3,4,5,6,7-HEXAHYDRO-1-(4-NITROPHENYLAMINO)-1H-BENZIMIDAZOLE-2-THIONE
SpectraBase Compound ID 68s8nwll52r
InChI InChI=1S/C13H14N4O2S/c18-17(19)10-7-5-9(6-8-10)15-16-12-4-2-1-3-11(12)14-13(16)20/h5-8,15H,1-4H2,(H,14,20)
InChIKey IDGZBWGJPQQSHC-UHFFFAOYSA-N
Mol Weight 290.34 g/mol
Molecular Formula C13H14N4O2S
Exact Mass 290.083747 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4RtSxG6sjc
Name 2,3,4,5,6,7-HEXAHYDRO-1-(4-NITROPHENYLAMINO)-1H-BENZIMIDAZOLE-2-THIONE
Compound Number 8DB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14N4O2S
InChI InChI=1S/C13H14N4O2S/c18-17(19)10-7-5-9(6-8-10)15-16-12-4-2-1-3-11(12)14-13(16)20/h5-8,15H,1-4H2,(H,14,20)
InChIKey IDGZBWGJPQQSHC-UHFFFAOYSA-N
Literature Reference Author J.G.SCHANTL,I.M.LAGOJA
Literature Reference Citation HETEROCYCLES,45,691(1997)
Literature Reference DOI 10.3987/COM-96-7715
Molecular Weight 290.340 g/mol
Solvent DMSO-D6
Source File Reference UWMZ2288