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[NO2,CONH2-(15)-N-(2)]-5-NITRO-4-IMIDAZOLECARBOXAMIDE

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[NO2,CONH2-(15)-N-(2)]-5-NITRO-4-IMIDAZOLECARBOXAMIDE
SpectraBase Compound ID 5rASXRDZnaK
InChI InChI=1S/C4H4N4O3/c5-3(9)2-4(8(10)11)7-1-6-2/h1H,(H2,5,9)(H,6,7)/i5+1,8+1
InChIKey YJHHUXIIKAYKJJ-LXCUQPLXSA-N
Mol Weight 158.09 g/mol
Molecular Formula C4H4N215N2O3
Exact Mass 158.02241 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KtCQVE48nfr
Name [NO2,CONH2-(15)-N-(2)]-5-NITRO-4-IMIDAZOLECARBOXAMIDE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H4N215N2O3
InChI InChI=1S/C4H4N4O3/c5-3(9)2-4(8(10)11)7-1-6-2/h1H,(H2,5,9)(H,6,7)/i5+1,8+1
InChIKey YJHHUXIIKAYKJJ-LXCUQPLXSA-N
Literature Reference Author M.L.JAIN,Y.P.TSAO,N.L.HO,J.W.CHENG
Literature Reference Citation J.ORG.CHEM.,66,6472(2001)
Literature Reference DOI 10.1021/jo010253q
Solvent DMSO-D6
Source File Reference UWVN24781