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N-(3-ETHYLPROPANEDITHIOATE)-N-METHYL-2-(2-NITROIMIDAZOL-1-YL)-ACETAMIDE
SpectraBase Compound ID EpvB4jNQBOt
InChI InChI=1S/2C11H16N4O3S2/c2*1-3-20-10(19)4-6-13(2)9(16)8-14-7-5-12-11(14)15(17)18/h2*5,7H,3-4,6,8H2,1-2H3
InChIKey YAZOPYWXMBDEQZ-UHFFFAOYSA-N
Mol Weight 632.79 g/mol
Molecular Formula C22H32N8O6S4
Exact Mass 632.132765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14CxOvkA1ZG
Name N-(3-ETHYLPROPANEDITHIOATE)-N-METHYL-2-(2-NITROIMIDAZOL-1-YL)-ACETAMIDE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32N8O6S4
InChI InChI=1S/2C11H16N4O3S2/c2*1-3-20-10(19)4-6-13(2)9(16)8-14-7-5-12-11(14)15(17)18/h2*5,7H,3-4,6,8H2,1-2H3
InChIKey YAZOPYWXMBDEQZ-UHFFFAOYSA-N
Literature Reference Author O.JOSSE,D.LABAR,B.GEORGES,V.GREGOIRE,J.M.BRYNAERT
Literature Reference Citation BIOORG.MED.CHEM.,9,665(2001)
Literature Reference DOI 10.1016/S0968-0896(00)00279-0
Molecular Weight 632.786 g/mol
Solvent CDCl3
Source File Reference UWLU21829