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N-(3-ETHYLPHENYL)-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-ETHYLPHENYL)-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 C8TeRyZ07Zh
InChI InChI=1S/C25H28F3N5O4/c1-5-14-7-6-8-15(9-14)29-18(34)22(2)11-23(3)13-24(4,12-22)21(37)33(20(23)36)17-10-16(31-32-17)30-19(35)25(26,27)28/h6-10H,5,11-13H2,1-4H3,(H,29,34)(H2,30,31,32,35)/t23-,24-/m1/s1
InChIKey IZOFFLGTDCTPKQ-DNQXCXABSA-N
Mol Weight 519.53 g/mol
Molecular Formula C25H28F3N5O4
Exact Mass 519.209339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FTXUtuOBeUR
Name N-(3-ETHYLPHENYL)-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 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28F3N5O4
InChI InChI=1S/C25H28F3N5O4/c1-5-14-7-6-8-15(9-14)29-18(34)22(2)11-23(3)13-24(4,12-22)21(37)33(20(23)36)17-10-16(31-32-17)30-19(35)25(26,27)28/h6-10H,5,11-13H2,1-4H3,(H,29,34)(H2,30,31,32,35)/t23-,24-/m1/s1
InChIKey IZOFFLGTDCTPKQ-DNQXCXABSA-N
Literature Reference Author M.WEHNER,D.JANSSEN,G.SCHAEFER,T.SCHRADER
Literature Reference Citation EUR.J.ORG.CHEM.,138(2006)
Molecular Weight 519.524 g/mol
Sample ID 42719
Solvent CD3OD