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3,6-DINITRO-CYCLOHEXANE-1,2,4,5-TETRAOL
SpectraBase Compound ID CCP84Bg6WwH
InChI InChI=1S/C6H10N2O8/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h1-6,9-12H/t1-,2-,3-,4-,5+,6+
InChIKey QGRCHCXTJJGBKG-QBVDJRBYSA-N
Mol Weight 238.15 g/mol
Molecular Formula C6H10N2O8
Exact Mass 238.043715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5Gsyn3gfEC
Name 3,6-DINITRO-CYCLOHEXANE-1,2,4,5-TETRAOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H10N2O8
InChI InChI=1S/C6H10N2O8/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h1-6,9-12H/t1-,2-,3-,4-,5+,6+
InChIKey QGRCHCXTJJGBKG-QBVDJRBYSA-N
Literature Reference Author S.CUDZILO,M.NITA,A.CHOLUJ,M.SZALA,W.DANIKIEWICZ,G.SPOLNIK,S. KROMPIEC,S.MICHALIK,
Literature Reference Citation PROP.EXPL.PYROT.,37,261(2012)
Literature Reference DOI 10.1002/prep.201000133
Molecular Weight 238.154 g/mol
Solvent DMSO-D6
Source File Reference UWLU78341