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2-(DINITROMETHYLENE)-1,3-DIAZACYCLOHEXANE
SpectraBase Compound ID 6UfQ22FxfFb
InChI InChI=1S/C5H8N4O4/c10-8(11)5(9(12)13)4-6-2-1-3-7-4/h6-7H,1-3H2
InChIKey CXRUHFKXRYIVMV-UHFFFAOYSA-N
Mol Weight 188.14 g/mol
Molecular Formula C5H8N4O4
Exact Mass 188.054555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9nSD0Qamo4d
Name 2-(DINITROMETHYLENE)-1,3-DIAZACYCLOHEXANE
Compound Number 1 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H8N4O4
InChI InChI=1S/C5H8N4O4/c10-8(11)5(9(12)13)4-6-2-1-3-7-4/h6-7H,1-3H2
InChIKey CXRUHFKXRYIVMV-UHFFFAOYSA-N
Literature Reference Author P.GILINSKY-SHARON,H.E.GOTTLIEB,D.E.RAJSFUS,K.KEINAN-ADAMSKY, V.MARKS,P.APED,A.A.F
Literature Reference Citation MAGN.RES.CHEM.,50,672(2012)
Literature Reference DOI 10.1002/mrc.3861
Molecular Weight 188.143 g/mol
Solvent DMSO-D6
Source File Reference UWLU82312