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#15;(19R,20S)-19-[(2-R)-1,4-DIOXASPIRO-[4.5]-DECANYL]-20-FLUORO-4-METHYL-18-OXA-4,14,21-TRIAZAHEXACYCLO-[20.6.1.1(7,14).0(2,6).0(8,13).0(22,28)]-TRIACONTA-1(29
SpectraBase Compound ID AE5iicfJMfQ
InChI InChI=1S/C35H36FN3O5/c1-37-33(40)30-24-18-38(27-12-5-3-10-22(24)27)16-9-17-42-32(29-21-43-35(44-29)14-7-2-8-15-35)26(36)20-39-19-25(31(30)34(37)41)23-11-4-6-13-28(23)39/h3-6,10-13,18-19,26,29,32H,2,7-9,14-17,20-21H2,1H3/t26-,29+,32-/m0/s1
InChIKey XWTMIRWVHCVEKE-SBAONXBNSA-N
Mol Weight 597.7 g/mol
Molecular Formula C35H36FN3O5
Exact Mass 597.263899 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LE5lCmDRI8a
Name #15;(19R,20S)-19-[(2-R)-1,4-DIOXASPIRO-[4.5]-DECANYL]-20-FLUORO-4-METHYL-18-OXA-4,14,21-TRIAZAHEXACYCLO-[20.6.1.1(7,14).0(2,6).0(8,13).0(22,28)]-TRIACONTA-1(29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H36FN3O5
InChI InChI=1S/C35H36FN3O5/c1-37-33(40)30-24-18-38(27-12-5-3-10-22(24)27)16-9-17-42-32(29-21-43-35(44-29)14-7-2-8-15-35)26(36)20-39-19-25(31(30)34(37)41)23-11-4-6-13-28(23)39/h3-6,10-13,18-19,26,29,32H,2,7-9,14-17,20-21H2,1H3/t26-,29+,32-/m0/s1
InChIKey XWTMIRWVHCVEKE-SBAONXBNSA-N
Literature Reference Author P.G.GOEKJIAN,G.Z.WU,S.CHEN,L.ZHOU,M.R.JIROUSEK,J.R.GILLIG,L. M.BALLAS,J.T.DIXON
Literature Reference Citation J.ORG.CHEM.,64,4238(1999)
Literature Reference DOI 10.1021/jo9808876
Solvent CDCl3
Source File Reference UWSI41116