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#6B;3-[(1,5,7-TRIMETHYL-2,4-DIOXO-3-[5-(2,2,2-TRIFLUOROACETYLAMINO)-2H-PYRAZOL-3-YL]-3-AZABICYCLO-[3.3.1]-NONANE-7-CARBONYL)-AMINO]-BENZOIC-ACID

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#6B;3-[(1,5,7-TRIMETHYL-2,4-DIOXO-3-[5-(2,2,2-TRIFLUOROACETYLAMINO)-2H-PYRAZOL-3-YL]-3-AZABICYCLO-[3.3.1]-NONANE-7-CARBONYL)-AMINO]-BENZOIC-ACID
SpectraBase Compound ID 6VEd2IIw98y
InChI InChI=1S/C24H24F3N5O6/c1-21(17(35)28-13-6-4-5-12(7-13)16(33)34)9-22(2)11-23(3,10-21)20(38)32(19(22)37)15-8-14(30-31-15)29-18(36)24(25,26)27/h4-8H,9-11H2,1-3H3,(H,28,35)(H,33,34)(H2,29,30,31,36)/t22-,23-/m1/s1
InChIKey CWLZGRBWUDSZOG-DHIUTWEWSA-N
Mol Weight 535.48 g/mol
Molecular Formula C24H24F3N5O6
Exact Mass 535.167868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1YfjKqcsHDp
Name #6B;3-[(1,5,7-TRIMETHYL-2,4-DIOXO-3-[5-(2,2,2-TRIFLUOROACETYLAMINO)-2H-PYRAZOL-3-YL]-3-AZABICYCLO-[3.3.1]-NONANE-7-CARBONYL)-AMINO]-BENZOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H24F3N5O6
InChI InChI=1S/C24H24F3N5O6/c1-21(17(35)28-13-6-4-5-12(7-13)16(33)34)9-22(2)11-23(3,10-21)20(38)32(19(22)37)15-8-14(30-31-15)29-18(36)24(25,26)27/h4-8H,9-11H2,1-3H3,(H,28,35)(H,33,34)(H2,29,30,31,36)/t22-,23-/m1/s1
InChIKey CWLZGRBWUDSZOG-DHIUTWEWSA-N
Literature Reference Author M.WEHNER,D.JANSSEN,G.SCHAEFER,T.SCHRADER
Literature Reference Citation EUR.J.ORG.CHEM.,138(2006)
Molecular Weight 535.480 g/mol
Sample ID 42723
Solvent ACETONE-D6