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3-TROPINONE-O-[3-[1-BENZYL-3,5-DIMETHYL-1H-PYRAZOL-4-YL]-2-PROPYN-1-YL]-OXIME
SpectraBase Compound ID 5PII4mAgDr9
InChI InChI=1S/C23H28N4O/c1-17-23(18(2)27(24-17)16-19-8-5-4-6-9-19)10-7-13-28-25-20-14-21-11-12-22(15-20)26(21)3/h4-6,8-9,21-22H,11-16H2,1-3H3/b25-20-/t21-,22+/m0/s1
InChIKey ORYYGSHLUDLTNX-LMTHACJXSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H28N4O
Exact Mass 376.226312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9iZysSjSDGd
Name 3-TROPINONE-O-[3-[1-BENZYL-3,5-DIMETHYL-1H-PYRAZOL-4-YL]-2-PROPYN-1-YL]-OXIME
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28N4O
InChI InChI=1S/C23H28N4O/c1-17-23(18(2)27(24-17)16-19-8-5-4-6-9-19)10-7-13-28-25-20-14-21-11-12-22(15-20)26(21)3/h4-6,8-9,21-22H,11-16H2,1-3H3/b25-20-/t21-,22+/m0/s1
InChIKey ORYYGSHLUDLTNX-LMTHACJXSA-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 376.502 g/mol
Sample ID 29292
Solvent CDCl3