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5-(1-ISOPROPENYLCYCLOPROPYL)-5-METHYL-3,3-DINITRO-2-[1'-NITRO-1,1'-BI-(CYCLOBUTYL)-1-YLOXY]-ISOXAZOLIDINE;DIASTEREOMER_A;MAJOR_DIASTEREOMER

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5-(1-ISOPROPENYLCYCLOPROPYL)-5-METHYL-3,3-DINITRO-2-[1'-NITRO-1,1'-BI-(CYCLOBUTYL)-1-YLOXY]-ISOXAZOLIDINE;DIASTEREOMER_A;MAJOR_DIASTEREOMER
SpectraBase Compound ID 6ig52XzcKDH
InChI InChI=1S/C18H26N4O8/c1-13(2)15(10-11-15)14(3)12-18(20(25)26,21(27)28)22(29-14)30-17(8-5-9-17)16(19(23)24)6-4-7-16/h1,4-12H2,2-3H3
InChIKey FHLOEQBOVKUECB-UHFFFAOYSA-N
Mol Weight 426.43 g/mol
Molecular Formula C18H26N4O8
Exact Mass 426.175064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AWE7lhzOsKe
Name 5-(1-ISOPROPENYLCYCLOPROPYL)-5-METHYL-3,3-DINITRO-2-[1'-NITRO-1,1'-BI-(CYCLOBUTYL)-1-YLOXY]-ISOXAZOLIDINE;DIASTEREOMER_A;MAJOR_DIASTEREOMER
Compound Number V-D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26N4O8
InChI InChI=1S/C18H26N4O8/c1-13(2)15(10-11-15)14(3)12-18(20(25)26,21(27)28)22(29-14)30-17(8-5-9-17)16(19(23)24)6-4-7-16/h1,4-12H2,2-3H3
InChIKey FHLOEQBOVKUECB-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 426.426 g/mol
Solvent CDCl3
Source File Reference UWMZ16860