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9,9-DINITRO-8-[1'-NITRO-1,1'-BI-(CYCLOBUTYL)-1-YLOXY]-7-OXA-8-AZADISPIRO-[2.2.4.0]-DECANE;MIXTURE_OF_DIASTEREOMERS
SpectraBase Compound ID 9DtaYruJKf1
InChI InChI=1S/2C16H22N4O8/c2*21-17(22)13(3-1-4-13)14(5-2-6-14)27-20-16(18(23)24,19(25)26)11-15(28-20)10-9-12(15)7-8-12/h2*1-11H2
InChIKey FNAWFJAILSYECZ-UHFFFAOYSA-N
Mol Weight 796.74 g/mol
Molecular Formula C32H44N8O16
Exact Mass 796.287527 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FRcROMnkGp9
Name 9,9-DINITRO-8-[1'-NITRO-1,1'-BI-(CYCLOBUTYL)-1-YLOXY]-7-OXA-8-AZADISPIRO-[2.2.4.0]-DECANE;MIXTURE_OF_DIASTEREOMERS
Compound Number III-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H44N8O16
InChI InChI=1S/2C16H22N4O8/c2*21-17(22)13(3-1-4-13)14(5-2-6-14)27-20-16(18(23)24,19(25)26)11-15(28-20)10-9-12(15)7-8-12/h2*1-11H2
InChIKey FNAWFJAILSYECZ-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 796.745 g/mol
Solvent CDCl3
Source File Reference UWMZ16852