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#2;(18R,19R)-19-FLUORO-18-[(DIMETHYLAMINO)-METHYL]-17-OXA-4,14,21-TRIAZAHEXACYCLO-[19.6.1.1(7,14).0(2,6).0(8,13).0(22,27)]-NONACOSA-1(28),2(6),7(29),8,10,12,22
SpectraBase Compound ID BsKOXVUv05A
InChI InChI=1S/C28H27FN4O3/c1-31(2)16-24-21(29)15-33-14-20(18-8-4-6-10-23(18)33)26-25(27(34)30-28(26)35)19-13-32(11-12-36-24)22-9-5-3-7-17(19)22/h3-10,13-14,21,24H,11-12,15-16H2,1-2H3,(H,30,34,35)/t21-,24-/m1/s1
InChIKey UECPQBXKJVWJIF-ZJSXRUAMSA-N
Mol Weight 486.55 g/mol
Molecular Formula C28H27FN4O3
Exact Mass 486.206719 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KhUM4W18ubk
Name #2;(18R,19R)-19-FLUORO-18-[(DIMETHYLAMINO)-METHYL]-17-OXA-4,14,21-TRIAZAHEXACYCLO-[19.6.1.1(7,14).0(2,6).0(8,13).0(22,27)]-NONACOSA-1(28),2(6),7(29),8,10,12,22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H27FN4O3
InChI InChI=1S/C28H27FN4O3/c1-31(2)16-24-21(29)15-33-14-20(18-8-4-6-10-23(18)33)26-25(27(34)30-28(26)35)19-13-32(11-12-36-24)22-9-5-3-7-17(19)22/h3-10,13-14,21,24H,11-12,15-16H2,1-2H3,(H,30,34,35)/t21-,24-/m1/s1
InChIKey UECPQBXKJVWJIF-ZJSXRUAMSA-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 UWSI41114