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METHYL-3-(4'-PHENYL-1'H-PYRROL-3'-YLSULFONYL)-4-(PARA-CHLOROPHENYL)-3H-PYRROLE-3-CARBOXYLATE
SpectraBase Compound ID LgJQG9aUm9e
InChI InChI=1S/C22H17ClN2O4S/c1-29-21(26)22(14-25-12-19(22)16-7-9-17(23)10-8-16)30(27,28)20-13-24-11-18(20)15-5-3-2-4-6-15/h2-14,24H,1H3
InChIKey ZKALTTCDWHCJLM-UHFFFAOYSA-N
Mol Weight 440.9 g/mol
Molecular Formula C22H17ClN2O4S
Exact Mass 440.059756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jGTImfyOGe
Name METHYL-3-(4'-PHENYL-1'H-PYRROL-3'-YLSULFONYL)-4-(PARA-CHLOROPHENYL)-3H-PYRROLE-3-CARBOXYLATE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17ClN2O4S
InChI InChI=1S/C22H17ClN2O4S/c1-29-21(26)22(14-25-12-19(22)16-7-9-17(23)10-8-16)30(27,28)20-13-24-11-18(20)15-5-3-2-4-6-15/h2-14,24H,1H3
InChIKey ZKALTTCDWHCJLM-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 440.901 g/mol
Sample ID 3139
Solvent DMSO-D6