For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-BROMOMETHYL-3,3-DINITRO-2-[1'-NITRO-1,1'-BI-(CYCLOBUTYL)-1-YLOXY]-ISOXAZOLIDINE;DIASTEREOMER_A;MAJOR_DIASTEREOMER
SpectraBase Compound ID Kx17i05MC4x
InChI InChI=1S/C12H17BrN4O8/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 NKYGFBVDTZOWED-UHFFFAOYSA-N
Mol Weight 425.19 g/mol
Molecular Formula C12H17BrN4O8
Exact Mass 424.022977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5cnPE0nAItg
Name 5-BROMOMETHYL-3,3-DINITRO-2-[1'-NITRO-1,1'-BI-(CYCLOBUTYL)-1-YLOXY]-ISOXAZOLIDINE;DIASTEREOMER-B;MINOR_DIASTEREOMER
Compound Number VIII-F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17BrN4O8
InChI InChI=1S/C12H17BrN4O8/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 NKYGFBVDTZOWED-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 425.193 g/mol
Solvent CDCl3
Source File Reference UWMZ16867