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4-(5-CHLORO-3-METHYL-1-PARA-TOLYL-1H-PYRAZOL-4-YL)-1-(4-FLUOROPHENYL)-7,7-DIMETHYL-3,4,7,8-TETRAHYDRO-QUINOLINE-2,5(1H,6H)-DIONE
SpectraBase Compound ID 4gOhH5ND5iO
InChI InChI=1S/C28H27ClFN3O2/c1-16-5-9-20(10-6-16)33-27(29)25(17(2)31-33)21-13-24(35)32(19-11-7-18(30)8-12-19)22-14-28(3,4)15-23(34)26(21)22/h5-12,21H,13-15H2,1-4H3
InChIKey REDDRUFCQKTABL-UHFFFAOYSA-N
Mol Weight 491.99 g/mol
Molecular Formula C28H27ClFN3O2
Exact Mass 491.177583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ex4EclRYTdR
Name 4-(5-CHLORO-3-METHYL-1-PARA-TOLYL-1H-PYRAZOL-4-YL)-1-(4-FLUOROPHENYL)-7,7-DIMETHYL-3,4,7,8-TETRAHYDRO-QUINOLINE-2,5(1H,6H)-DIONE
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H27ClFN3O2
InChI InChI=1S/C28H27ClFN3O2/c1-16-5-9-20(10-6-16)33-27(29)25(17(2)31-33)21-13-24(35)32(19-11-7-18(30)8-12-19)22-14-28(3,4)15-23(34)26(21)22/h5-12,21H,13-15H2,1-4H3
InChIKey REDDRUFCQKTABL-UHFFFAOYSA-N
Literature Reference Author N.J.THUMAR,M.P.PATEL
Literature Reference Citation SAUDI.PHARM.J.,19,75(2011)
Literature Reference DOI 10.1016/j.jsps.2011.01.005
Molecular Weight 491.993 g/mol
Source File Reference UWBT7132