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METHYL-3-[4'-(PARA-METHYLPHENYL)-1H-PYRAZOL-3'-YLSULFONYL]-4-(PARA-CHLOROPHENYL)-3H-PYRROLE-3-CARBOXYLATE
SpectraBase Compound ID JoFkg5T3VZo
InChI InChI=1S/C22H18ClN3O4S/c1-14-3-5-15(6-4-14)18-11-25-26-20(18)31(28,29)22(21(27)30-2)13-24-12-19(22)16-7-9-17(23)10-8-16/h3-13H,1-2H3,(H,25,26)
InChIKey KXHMNCZMVVFIJI-UHFFFAOYSA-N
Mol Weight 455.92 g/mol
Molecular Formula C22H18ClN3O4S
Exact Mass 455.070655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Irabv3HMKr1
Name METHYL-3-[4'-(PARA-METHYLPHENYL)-1H-PYRAZOL-3'-YLSULFONYL]-4-(PARA-CHLOROPHENYL)-3H-PYRROLE-3-CARBOXYLATE
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18ClN3O4S
InChI InChI=1S/C22H18ClN3O4S/c1-14-3-5-15(6-4-14)18-11-25-26-20(18)31(28,29)22(21(27)30-2)13-24-12-19(22)16-7-9-17(23)10-8-16/h3-13H,1-2H3,(H,25,26)
InChIKey KXHMNCZMVVFIJI-UHFFFAOYSA-N
Literature Reference Author V.PADMAVATHI,T.R.LAKSHMI,K.MAHESH,A.PADMAJA
Literature Reference Citation CHEM.PHARM.BULL.,57,1200(2009)
Literature Reference DOI 10.1248/cpb.57.1200
Molecular Weight 455.916 g/mol
Sample ID 3155
Solvent CDCl3