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DIETHYL_2-{3,3-DINITRO-2-[1'-NITRO-1,1'-BI-(CYCLOBUTYL)-1-YLOXY]-ISOXAZOLIDINE-5-YL}-CYCLOPROPANE-1,1-DICARBOXYLATE;DIASTEREOMER_A
SpectraBase Compound ID 4uU9k4Ilczh
InChI InChI=1S/C20H28N4O12/c1-3-33-15(25)19(16(26)34-4-2)11-13(19)14-12-20(22(29)30,23(31)32)24(35-14)36-18(9-6-10-18)17(21(27)28)7-5-8-17/h13-14H,3-12H2,1-2H3
InChIKey UJDDZYJFXDBYQI-UHFFFAOYSA-N
Mol Weight 516.46 g/mol
Molecular Formula C20H28N4O12
Exact Mass 516.170372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9NA0AVdO60b
Name DIETHYL_2-{3,3-DINITRO-2-[1'-NITRO-1,1'-BI-(CYCLOBUTYL)-1-YLOXY]-ISOXAZOLIDINE-5-YL}-CYCLOPROPANE-1,1-DICARBOXYLATE;DIASTEREOMER_B'
Compound Number V-C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28N4O12
InChI InChI=1S/C20H28N4O12/c1-3-33-15(25)19(16(26)34-4-2)11-13(19)14-12-20(22(29)30,23(31)32)24(35-14)36-18(9-6-10-18)17(21(27)28)7-5-8-17/h13-14H,3-12H2,1-2H3
InChIKey UJDDZYJFXDBYQI-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 516.462 g/mol
Solvent CDCl3
Source File Reference UWMZ16859