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#6;(19R,20S)-19-[(DIMETHYLAMINO)-METHYL]-20-FLUORO-18-OXA-4,14,21-TRIAZAHEXACYCLO-[20.6.1.1(7,14).0(2,6).0(8,13).0(22,28)]-TRIACONTA-1(29),2(6),7(30),8,10,12,2
SpectraBase Compound ID Jh8gAXFfcGE
InChI InChI=1S/C29H29FN4O3/c1-32(2)17-25-22(30)16-34-15-21(19-9-4-6-11-24(19)34)27-26(28(35)31-29(27)36)20-14-33(12-7-13-37-25)23-10-5-3-8-18(20)23/h3-6,8-11,14-15,22,25H,7,12-13,16-17H2,1-2H3,(H,31,35,36)/t22-,25+/m0/s1
InChIKey LGJFUTCIAGUJQC-WIOPSUGQSA-N
Mol Weight 500.57 g/mol
Molecular Formula C29H29FN4O3
Exact Mass 500.222369 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11Y9HfnRfyd
Name #6;(19R,20S)-19-[(DIMETHYLAMINO)-METHYL]-20-FLUORO-18-OXA-4,14,21-TRIAZAHEXACYCLO-[20.6.1.1(7,14).0(2,6).0(8,13).0(22,28)]-TRIACONTA-1(29),2(6),7(30),8,10,12,2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H29FN4O3
InChI InChI=1S/C29H29FN4O3/c1-32(2)17-25-22(30)16-34-15-21(19-9-4-6-11-24(19)34)27-26(28(35)31-29(27)36)20-14-33(12-7-13-37-25)23-10-5-3-8-18(20)23/h3-6,8-11,14-15,22,25H,7,12-13,16-17H2,1-2H3,(H,31,35,36)/t22-,25+/m0/s1
InChIKey LGJFUTCIAGUJQC-WIOPSUGQSA-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 UWSI41119