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1-PHENYL-3-(5-BROMOTHIOPHEN-2-YL)-5-(3,4-DIMETHOXYPHENYL)-2-PYRAZOLINE
SpectraBase Compound ID 1EzjiOtuXu6
InChI InChI=1S/C21H19BrN2O2S/c1-25-18-9-8-14(12-19(18)26-2)17-13-16(20-10-11-21(22)27-20)23-24(17)15-6-4-3-5-7-15/h3-12,17H,13H2,1-2H3
InChIKey AFFFJVKKDVKPSD-UHFFFAOYSA-N
Mol Weight 443.36 g/mol
Molecular Formula C21H19BrN2O2S
Exact Mass 442.035062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZWr4UQhQOp
Name 1-PHENYL-3-(5-BROMOTHIOPHEN-2-YL)-5-(3,4-DIMETHOXYPHENYL)-2-PYRAZOLINE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19BrN2O2S
InChI InChI=1S/C21H19BrN2O2S/c1-25-18-9-8-14(12-19(18)26-2)17-13-16(20-10-11-21(22)27-20)23-24(17)15-6-4-3-5-7-15/h3-12,17H,13H2,1-2H3
InChIKey AFFFJVKKDVKPSD-UHFFFAOYSA-N
Literature Reference Author R.SASIKALA,K.THIRUMURTHY,P.MAYAVEL,G.THIRUNARAYANAN
Literature Reference Citation ORG.MED.CHEM.LETT.,2,20(2012)
Literature Reference DOI 10.1186/2191-2858-2-20
Molecular Weight 443.358 g/mol
Solvent CDCl3
Source File Reference UWLU976377