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3,3-DINITRO-2-[1'-NITRO-1,1'-BI-(CYCLOBUTYL)-1-YLOXY]-5-CHLOROMETHYLISOXAZOLIDINE;DIASTEREOMER_A;MAJOR_DIASTEREOMER
SpectraBase Compound ID FBKPMG7tUoI
InChI InChI=1S/C12H17ClN4O8/c13-8-9-7-12(15(20)21,16(22)23)17(24-9)25-11(5-2-6-11)10(14(18)19)3-1-4-10/h9H,1-8H2
InChIKey XZYAORONSKZOAS-UHFFFAOYSA-N
Mol Weight 380.74 g/mol
Molecular Formula C12H17ClN4O8
Exact Mass 380.073491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BM7pjVayMce
Name 3,3-DINITRO-2-[1'-NITRO-1,1'-BI-(CYCLOBUTYL)-1-YLOXY]-5-CHLOROMETHYLISOXAZOLIDINE;DIASTEREOMER_A;MAJOR_DIASTEREOMER
Compound Number VIII-E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17ClN4O8
InChI InChI=1S/C12H17ClN4O8/c13-8-9-7-12(15(20)21,16(22)23)17(24-9)25-11(5-2-6-11)10(14(18)19)3-1-4-10/h9H,1-8H2
InChIKey XZYAORONSKZOAS-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 380.742 g/mol
Solvent CDCl3
Source File Reference UWMZ16864