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5-ACETYL-3,3-DINITRO-2-(2-NITRO-1-PHENYLCYCLOHEXYLOXY)-ISOXAZOLIDINE;DIASTEREOMER_A;MAXIMUM_DIASTEREOMER
SpectraBase Compound ID 23FwGlHZQk
InChI InChI=1S/C17H22N4O9/c1-4-10-16(13(3)18(23)24,14-8-6-5-7-9-14)30-21-17(19(25)26,20(27)28)11-15(29-21)12(2)22/h5-9,13,15H,4,10-11H2,1-3H3
InChIKey ZSWSUCADKJZLQW-UHFFFAOYSA-N
Mol Weight 426.38 g/mol
Molecular Formula C17H22N4O9
Exact Mass 426.138678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2KIWe7EShm
Name 5-ACETYL-3,3-DINITRO-2-(2-NITRO-1-PHENYLCYCLOHEXYLOXY)-ISOXAZOLIDINE;DIASTEREOMER_B;MAJOR_DIASTEREOMER
Compound Number XIV-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22N4O9
InChI InChI=1S/C17H22N4O9/c1-4-10-16(13(3)18(23)24,14-8-6-5-7-9-14)30-21-17(19(25)26,20(27)28)11-15(29-21)12(2)22/h5-9,13,15H,4,10-11H2,1-3H3
InChIKey ZSWSUCADKJZLQW-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 426.383 g/mol
Solvent CDCl3
Source File Reference UWMZ16878