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1,5,7-TRIMETHYL-N-(3-NITROPHENYL)-2,4-DIOXO-3-[5-(2,2,2-TRIFLUOROACETYLAMINO)-2H-PYRAZOL-3-YL]-3-AZABICYCLO-[3.3.1]-NONANE-7-CARBOXAMIDE

View entire compound with spectra: 1 NMR

1,5,7-TRIMETHYL-N-(3-NITROPHENYL)-2,4-DIOXO-3-[5-(2,2,2-TRIFLUOROACETYLAMINO)-2H-PYRAZOL-3-YL]-3-AZABICYCLO-[3.3.1]-NONANE-7-CARBOXAMIDE
SpectraBase Compound ID DmTkyZo4OKA
InChI InChI=1S/C23H23F3N6O6/c1-20(16(33)27-12-5-4-6-13(7-12)32(37)38)9-21(2)11-22(3,10-20)19(36)31(18(21)35)15-8-14(29-30-15)28-17(34)23(24,25)26/h4-8H,9-11H2,1-3H3,(H,27,33)(H2,28,29,30,34)/t21-,22-/m1/s1
InChIKey QHAZZVXSAIMHKA-FGZHOGPDSA-N
Mol Weight 536.47 g/mol
Molecular Formula C23H23F3N6O6
Exact Mass 536.163117 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSxzrJheahA
Name 1,5,7-TRIMETHYL-N-(3-NITROPHENYL)-2,4-DIOXO-3-[5-(2,2,2-TRIFLUOROACETYLAMINO)-2H-PYRAZOL-3-YL]-3-AZABICYCLO-[3.3.1]-NONANE-7-CARBOXAMIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H23F3N6O6
InChI InChI=1S/C23H23F3N6O6/c1-20(16(33)27-12-5-4-6-13(7-12)32(37)38)9-21(2)11-22(3,10-20)19(36)31(18(21)35)15-8-14(29-30-15)28-17(34)23(24,25)26/h4-8H,9-11H2,1-3H3,(H,27,33)(H2,28,29,30,34)/t21-,22-/m1/s1
InChIKey QHAZZVXSAIMHKA-FGZHOGPDSA-N
Literature Reference Author M.WEHNER,D.JANSSEN,G.SCHAEFER,T.SCHRADER
Literature Reference Citation EUR.J.ORG.CHEM.,138(2006)
Molecular Weight 536.467 g/mol
Sample ID 42721
Solvent CD3OD