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5-METHYL-3,3-DINITRO-2-(2-NITRO-1-PHENYLCYCLOHEXYLOXY)-5-CYCLOPROPYLCYCLOXAZOLIDINE;MIXTURE_OF_DIASTEREOMERS
SpectraBase Compound ID E89akv7Ueyk
InChI InChI=1S/2C19H26N4O8/c2*1-4-12-18(14(2)20(24)25,16-8-6-5-7-9-16)31-23-19(21(26)27,22(28)29)13-17(3,30-23)15-10-11-15/h2*5-9,14-15H,4,10-13H2,1-3H3
InChIKey LHSBAJCURWLETO-UHFFFAOYSA-N
Mol Weight 876.87 g/mol
Molecular Formula C38H52N8O16
Exact Mass 876.350128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 98RrB4BTJRn
Name 5-METHYL-3,3-DINITRO-2-(2-NITRO-1-PHENYLCYCLOHEXYLOXY)-5-CYCLOPROPYLCYCLOXAZOLIDINE;MIXTURE_OF_DIASTEREOMERS
Compound Number XIV-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H52N8O16
InChI InChI=1S/2C19H26N4O8/c2*1-4-12-18(14(2)20(24)25,16-8-6-5-7-9-16)31-23-19(21(26)27,22(28)29)13-17(3,30-23)15-10-11-15/h2*5-9,14-15H,4,10-13H2,1-3H3
InChIKey LHSBAJCURWLETO-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 876.875 g/mol
Solvent CDCl3
Source File Reference UWMZ16876