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3,3'-BI-(6-CYCLOHEXYL-8-METHYL-2,4-DIOXA-6,8-DIAZABICYCLO-[3.3.0]-OCTAN-7-ONE
SpectraBase Compound ID HUPRqYBSouv
InChI InChI=1S/C22H34N4O6/c1-23-15-17(25(21(23)27)13-9-5-3-6-10-13)31-19(29-15)20-30-16-18(32-20)26(22(28)24(16)2)14-11-7-4-8-12-14/h13-20H,3-12H2,1-2H3/t15-,16+,17+,18-,19-,20+
InChIKey MGAMHFAZKYARCL-XAWFRAJHSA-N
Mol Weight 450.5 g/mol
Molecular Formula C22H34N4O6
Exact Mass 450.247835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6L1q03NHJcG
Name 3,3'-BI-(6-CYCLOHEXYL-8-METHYL-2,4-DIOXA-6,8-DIAZABICYCLO-[3.3.0]-OCTAN-7-ONE
Compound Number 12D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34N4O6
InChI InChI=1S/C22H34N4O6/c1-23-15-17(25(21(23)27)13-9-5-3-6-10-13)31-19(29-15)20-30-16-18(32-20)26(22(28)24(16)2)14-11-7-4-8-12-14/h13-20H,3-12H2,1-2H3/t15-,16+,17+,18-,19-,20+
InChIKey MGAMHFAZKYARCL-XAWFRAJHSA-N
Literature Reference Author A.S.SOGACHEV,A.N.KRAVCHENKO,G.A.GAZIEVA,P.A.BELYAKOV,N.G.KOL OTYRKINA,O.V.LEBEDEV
Literature Reference Citation J.HETCYCL.CHEM.,43,1295(2006)
Literature Reference DOI 10.1002/jhet.5570430523
Molecular Weight 450.535 g/mol
Sample ID 67749
Solvent DMSO-D6