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7,7-DINITRO-6-(2-NITRO-1-PHENYLCYCLOHEXYLOXY)-5-OXA-6-AZASPIRO-[3.4]-OCTANE;DIASTEREOMER_A;MAJOR_DIASTEREOMER
SpectraBase Compound ID 6V9moi6X6x1
InChI InChI=1S/C18H22N4O8/c23-19(24)15-9-4-5-12-17(15,14-7-2-1-3-8-14)30-22-18(20(25)26,21(27)28)13-16(29-22)10-6-11-16/h1-3,7-8,15H,4-6,9-13H2
InChIKey RBCWDJNSTIMYND-UHFFFAOYSA-N
Mol Weight 422.39 g/mol
Molecular Formula C18H22N4O8
Exact Mass 422.143764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQd00sUqy5A
Name 7,7-DINITRO-6-(2-NITRO-1-PHENYLCYCLOHEXYLOXY)-5-OXA-6-AZASPIRO-[3.4]-OCTANE;DIASTEREOMER_B;MINOR_DIASTEREOMER
Compound Number XIII-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N4O8
InChI InChI=1S/C18H22N4O8/c23-19(24)15-9-4-5-12-17(15,14-7-2-1-3-8-14)30-22-18(20(25)26,21(27)28)13-16(29-22)10-6-11-16/h1-3,7-8,15H,4-6,9-13H2
InChIKey RBCWDJNSTIMYND-UHFFFAOYSA-N
Literature Reference Author E.B.AVERINA,E.M.BUDYNINA,O.A.IVANOVA,Y.K.GRISHIN,S.M.GERDOV, T.S.KUZNETSOVA,N.S.Z
Literature Reference Citation RUSS.J.ORG.CHEM.,40,162(2004)
Literature Reference DOI 10.1023/B:RUJO.0000034936.03355.d1
Molecular Weight 422.395 g/mol
Solvent CDCl3
Source File Reference UWMZ16871