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

View entire compound with spectra: 1 NMR

1,5,7-TRIMETHYL-2,4-DIOXO-3-[5-(2,2,2-TRIFLUOROACETYLAMINO)-2H-PYRAZOL-3-YL]-3-AZABICYCLO-[3.3.1]-NONANE-7-CARBOXYLIC-ACID
SpectraBase Compound ID 8IW2Ej0BtWP
InChI InChI=1S/C17H19F3N4O5/c1-14-5-15(2,7-16(3,6-14)13(28)29)12(27)24(11(14)26)9-4-8(22-23-9)21-10(25)17(18,19)20/h4H,5-7H2,1-3H3,(H,28,29)(H2,21,22,23,25)/t14-,15-/m0/s1
InChIKey JHPICITXYQKPHS-GJZGRUSLSA-N
Mol Weight 416.36 g/mol
Molecular Formula C17H19F3N4O5
Exact Mass 416.130754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Vwq0rkb2b2
Name 1,5,7-TRIMETHYL-2,4-DIOXO-3-[5-(2,2,2-TRIFLUOROACETYLAMINO)-2H-PYRAZOL-3-YL]-3-AZABICYCLO-[3.3.1]-NONANE-7-CARBOXYLIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H19F3N4O5
InChI InChI=1S/C17H19F3N4O5/c1-14-5-15(2,7-16(3,6-14)13(28)29)12(27)24(11(14)26)9-4-8(22-23-9)21-10(25)17(18,19)20/h4H,5-7H2,1-3H3,(H,28,29)(H2,21,22,23,25)/t14-,15-/m0/s1
InChIKey JHPICITXYQKPHS-GJZGRUSLSA-N
Literature Reference Author M.WEHNER,D.JANSSEN,G.SCHAEFER,T.SCHRADER
Literature Reference Citation EUR.J.ORG.CHEM.,138(2006)
Molecular Weight 416.357 g/mol
Sample ID 42718
Solvent DMSO-D6