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N-[3-(ETHYLTHIO)-3-THIOXOPROPYL]-2-(2-NITROIMIDAZOL-1-YL)-ACETAMIDE
SpectraBase Compound ID IzFACwGsy9P
InChI InChI=1S/C10H14N4O3S2/c1-2-19-9(18)3-4-11-8(15)7-13-6-5-12-10(13)14(16)17/h5-6H,2-4,7H2,1H3,(H,11,15)
InChIKey LMCRSLWBOSRPMW-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C10H14N4O3S2
Exact Mass 302.050733 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BVgpuEaPQW2
Name N-[3-(ETHYLTHIO)-3-THIOXOPROPYL]-2-(2-NITROIMIDAZOL-1-YL)-ACETAMIDE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14N4O3S2
InChI InChI=1S/C10H14N4O3S2/c1-2-19-9(18)3-4-11-8(15)7-13-6-5-12-10(13)14(16)17/h5-6H,2-4,7H2,1H3,(H,11,15)
InChIKey LMCRSLWBOSRPMW-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 302.366 g/mol
Solvent CDCl3
Source File Reference UWLU21828