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2,2-DIMETHYL-N-(4-METHOXY-2-(3-FLUORO-4-(4-METHOXY-2-PIVALOYLAMINOPHENYL)-QUINOL-2-YL)-PHENYL)-PROPANAMIDE
SpectraBase Compound ID DNSBJ3RTpfA
InChI InChI=1S/C33H36FN3O4/c1-32(2,3)30(38)36-25-15-13-19(40-7)17-22(25)27-21-11-9-10-12-24(21)35-29(28(27)34)23-18-20(41-8)14-16-26(23)37-31(39)33(4,5)6/h9-18H,1-8H3,(H,36,38)(H,37,39)
InChIKey QLQGOOJXVHPTRG-UHFFFAOYSA-N
Mol Weight 557.7 g/mol
Molecular Formula C33H36FN3O4
Exact Mass 557.268985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRRJl3lY985
Name 2,2-DIMETHYL-N-(4-METHOXY-2-(3-FLUORO-4-(4-METHOXY-2-PIVALOYLAMINOPHENYL)-QUINOL-2-YL)-PHENYL)-PROPANAMIDE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H36FN3O4
InChI InChI=1S/C33H36FN3O4/c1-32(2,3)30(38)36-25-15-13-19(40-7)17-22(25)27-21-11-9-10-12-24(21)35-29(28(27)34)23-18-20(41-8)14-16-26(23)37-31(39)33(4,5)6/h9-18H,1-8H3,(H,36,38)(H,37,39)
InChIKey QLQGOOJXVHPTRG-UHFFFAOYSA-N
Literature Reference Author E.ARZEL,P.ROCCA,P.GRELLIER,M.LABAEID,F.FRAPPIER,F.GUERITTE,C .GASPARD,F.MARSAIS,A
Literature Reference Citation J.MED.CHEM.,44,949(2001)
Literature Reference DOI 10.1021/jm0010419
Molecular Weight 557.665 g/mol
Sample ID 44378
Solvent CDCl3