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3-TROPINONE-O-[3-[1-(PARA-METHOXYBENZYL)-3,5-DIMETHYL-1H-PYRAZOL-4-YL]-2-PROPYN-1-YL]-OXIME
SpectraBase Compound ID IrXYYCgheF8
InChI InChI=1S/C24H30N4O2/c1-17-24(18(2)28(25-17)16-19-7-11-23(29-4)12-8-19)6-5-13-30-26-20-14-21-9-10-22(15-20)27(21)3/h7-8,11-12,21-22H,9-10,13-16H2,1-4H3/b26-20-/t21-,22+/m0/s1
InChIKey GCCIIYLNFWMRCJ-MKAVYISBSA-N
Mol Weight 406.53 g/mol
Molecular Formula C24H30N4O2
Exact Mass 406.236876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Imh5EsAhNlx
Name 3-TROPINONE-O-[3-[1-(PARA-METHOXYBENZYL)-3,5-DIMETHYL-1H-PYRAZOL-4-YL]-2-PROPYN-1-YL]-OXIME
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H30N4O2
InChI InChI=1S/C24H30N4O2/c1-17-24(18(2)28(25-17)16-19-7-11-23(29-4)12-8-19)6-5-13-30-26-20-14-21-9-10-22(15-20)27(21)3/h7-8,11-12,21-22H,9-10,13-16H2,1-4H3/b26-20-/t21-,22+/m0/s1
InChIKey GCCIIYLNFWMRCJ-MKAVYISBSA-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 406.528 g/mol
Sample ID 29293
Solvent CDCl3