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N-(3-BENZYLPHENYL)-1,5,7-TRIMETHYL-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

N-(3-BENZYLPHENYL)-1,5,7-TRIMETHYL-2,4-DIOXO-3-[5-(2,2,2-TRIFLUOROACETYLAMINO)-2H-PYRAZOL-3-YL]-3-AZABICYCLO-[3.3.1]-NONANE-7-CARBOXAMIDE
SpectraBase Compound ID KjdJjR6hmpJ
InChI InChI=1S/C30H30F3N5O4/c1-27(23(39)34-20-11-7-10-19(13-20)12-18-8-5-4-6-9-18)15-28(2)17-29(3,16-27)26(42)38(25(28)41)22-14-21(36-37-22)35-24(40)30(31,32)33/h4-11,13-14H,12,15-17H2,1-3H3,(H,34,39)(H2,35,36,37,40)/t27-,28+,29-
InChIKey MEKIWGQJINCUJW-PKQPGRETSA-N
Mol Weight 581.6 g/mol
Molecular Formula C30H30F3N5O4
Exact Mass 581.224989 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDXpypa4cKa
Name N-(3-BENZYLPHENYL)-1,5,7-TRIMETHYL-2,4-DIOXO-3-[5-(2,2,2-TRIFLUOROACETYLAMINO)-2H-PYRAZOL-3-YL]-3-AZABICYCLO-[3.3.1]-NONANE-7-CARBOXAMIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H30F3N5O4
InChI InChI=1S/C30H30F3N5O4/c1-27(23(39)34-20-11-7-10-19(13-20)12-18-8-5-4-6-9-18)15-28(2)17-29(3,16-27)26(42)38(25(28)41)22-14-21(36-37-22)35-24(40)30(31,32)33/h4-11,13-14H,12,15-17H2,1-3H3,(H,34,39)(H2,35,36,37,40)/t27-,28+,29-
InChIKey MEKIWGQJINCUJW-PKQPGRETSA-N
Literature Reference Author M.WEHNER,D.JANSSEN,G.SCHAEFER,T.SCHRADER
Literature Reference Citation EUR.J.ORG.CHEM.,138(2006)
Molecular Weight 581.595 g/mol
Sample ID 42726
Solvent CDCl3