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5-ACETYL-3,3-DINITRO-2-[1'-NITRO-1,1'-BI-(CYCLOBUTYL)-1-YLOXY]-ISOXAZOLIDINE;DIASTEREOMER_A;MAJOR_DIASTEREOMER
SpectraBase Compound ID DjyPBkHdEMm
InChI InChI=1S/C13H18N4O9/c1-9(18)10-8-13(15(21)22,16(23)24)17(25-10)26-12(6-3-7-12)11(14(19)20)4-2-5-11/h10H,2-8H2,1H3
InChIKey AXQVRAWPKNWDKQ-UHFFFAOYSA-N
Mol Weight 374.31 g/mol
Molecular Formula C13H18N4O9
Exact Mass 374.107378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FIqPXUhSX8r
Name 5-ACETYL-3,3-DINITRO-2-[1'-NITRO-1,1'-BI-(CYCLOBUTYL)-1-YLOXY]-ISOXAZOLIDINE;DIASTEREOMER_B;MINOR_DIASTEREOMER
Compound Number VII-C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18N4O9
InChI InChI=1S/C13H18N4O9/c1-9(18)10-8-13(15(21)22,16(23)24)17(25-10)26-12(6-3-7-12)11(14(19)20)4-2-5-11/h10H,2-8H2,1H3
InChIKey AXQVRAWPKNWDKQ-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 374.307 g/mol
Solvent CDCl3
Source File Reference UWMZ16863