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6-{{(3'-R,4'-R)-3'-[2''-(3'''-FLUOROPHENETHYLAMINO)-ETHOXY]-PYRROLIDIN-4'-YL}-METHYL}-4-METHYLPYRIDIN-2-AMINE

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6-{{(3'-R,4'-R)-3'-[2''-(3'''-FLUOROPHENETHYLAMINO)-ETHOXY]-PYRROLIDIN-4'-YL}-METHYL}-4-METHYLPYRIDIN-2-AMINE
SpectraBase Compound ID EQWAmon5pGf
InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)
InChIKey NESZTSPBRDBHCW-UHFFFAOYSA-N
Mol Weight 372.49 g/mol
Molecular Formula C21H29FN4O
Exact Mass 372.23254 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5ukeTMCPFt
Name 6-{{(3'-S,4'-R)-3'-[2''-(3'''-FLUOROPHENETHYLAMINO)-ETHOXY]-PYRROLIDIN-4'-YL}-METHYL}-4-METHYLPYRIDIN-2-AMINE
Compound Number (3'-S,4'-R)-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29FN4O
InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)
InChIKey NESZTSPBRDBHCW-UHFFFAOYSA-N
Literature Reference Author H.JI,S.L.DELKER,H.LI,P.MARTASEK,L.J.ROMAN,T.L.POULOS,R.B.SIL VERMAN
Literature Reference Citation J.MED.CHEM.,53,7804(2010)
Literature Reference DOI 10.1021/jm100947x
Solvent D2O
Source File Reference UWMZ34540