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3-TROPINONE-O-[3-[1-(2,4,6-TRIMETHYLBENZOYL)-3,5-DIMETHYL-1H-PYRAZOL-4-YL]-2-PROPYN-1-YL]-OXIME
SpectraBase Compound ID 2ngQvxKNXRB
InChI InChI=1S/C26H32N4O2/c1-16-12-17(2)25(18(3)13-16)26(31)30-20(5)24(19(4)27-30)8-7-11-32-28-21-14-22-9-10-23(15-21)29(22)6/h12-13,22-23H,9-11,14-15H2,1-6H3/b28-21-/t22-,23+/m0/s1
InChIKey XJNJBUONKUWMCD-XASZDJPBSA-N
Mol Weight 432.6 g/mol
Molecular Formula C26H32N4O2
Exact Mass 432.252526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQBfVghGWLX
Name 3-TROPINONE-O-[3-[1-(2,4,6-TRIMETHYLBENZOYL)-3,5-DIMETHYL-1H-PYRAZOL-4-YL]-2-PROPYN-1-YL]-OXIME
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32N4O2
InChI InChI=1S/C26H32N4O2/c1-16-12-17(2)25(18(3)13-16)26(31)30-20(5)24(19(4)27-30)8-7-11-32-28-21-14-22-9-10-23(15-21)29(22)6/h12-13,22-23H,9-11,14-15H2,1-6H3/b28-21-/t22-,23+/m0/s1
InChIKey XJNJBUONKUWMCD-XASZDJPBSA-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 432.566 g/mol
Sample ID 29294
Solvent CDCl3