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3-QUINUCLIDINONE-O-[3-[1-(2,4,6-TRIMETHYLBENZOYL)-3,5-DIMETHYL-1H-PYRAZOL-4-YL]-2-PROPYN-1-YL]-OXIME

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3-QUINUCLIDINONE-O-[3-[1-(2,4,6-TRIMETHYLBENZOYL)-3,5-DIMETHYL-1H-PYRAZOL-4-YL]-2-PROPYN-1-YL]-OXIME
SpectraBase Compound ID DslBynMfbZu
InChI InChI=1S/C25H30N4O2/c1-16-13-17(2)24(18(3)14-16)25(30)29-20(5)22(19(4)26-29)7-6-12-31-27-23-15-28-10-8-21(23)9-11-28/h13-14,21H,8-12,15H2,1-5H3/b27-23+
InChIKey NTAICGYKRMZKMQ-SLEBQGDGSA-N
Mol Weight 418.54 g/mol
Molecular Formula C25H30N4O2
Exact Mass 418.236876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CghiOTpT4js
Name 3-QUINUCLIDINONE-O-[3-[1-(2,4,6-TRIMETHYLBENZOYL)-3,5-DIMETHYL-1H-PYRAZOL-4-YL]-2-PROPYN-1-YL]-OXIME
Compound Number 4C-Z
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H30N4O2
InChI InChI=1S/C25H30N4O2/c1-16-13-17(2)24(18(3)14-16)25(30)29-20(5)22(19(4)26-29)7-6-12-31-27-23-15-28-10-8-21(23)9-11-28/h13-14,21H,8-12,15H2,1-5H3/b27-23+
InChIKey NTAICGYKRMZKMQ-SLEBQGDGSA-N
Literature Reference Author M.I.RODRIGUEZ-FRANCO,I.DORRONSORO,A.CASTRO,A.MARTINEZ,A.BADI A,J.E.BANOS
Literature Reference Citation BIOORG.MED.CHEM.,11,2263(2003)
Literature Reference DOI 10.1016/S0968-0896(03)00111-1
Molecular Weight 418.539 g/mol
Sample ID 29297
Solvent CDCl3