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METHYL-4-(PARA-CHLOROPHENYL)-3-(PARA-METHYLPHENYLETHENESULFONYL)-3H-PYRROLE-3-CARBOXYLATE
SpectraBase Compound ID 13yVeM6veIN
InChI InChI=1S/C21H18ClNO4S/c1-15-3-5-16(6-4-15)11-12-28(25,26)21(20(24)27-2)14-23-13-19(21)17-7-9-18(22)10-8-17/h3-14H,1-2H3/b12-11+
InChIKey LFBVWXGTOAUMKQ-VAWYXSNFSA-N
Mol Weight 415.89 g/mol
Molecular Formula C21H18ClNO4S
Exact Mass 415.064507 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IwGEmHeTYv6
Name METHYL-4-(PARA-CHLOROPHENYL)-3-(PARA-METHYLPHENYLETHENESULFONYL)-3H-PYRROLE-3-CARBOXYLATE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18ClNO4S
InChI InChI=1S/C21H18ClNO4S/c1-15-3-5-16(6-4-15)11-12-28(25,26)21(20(24)27-2)14-23-13-19(21)17-7-9-18(22)10-8-17/h3-14H,1-2H3/b12-11+
InChIKey LFBVWXGTOAUMKQ-VAWYXSNFSA-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 415.891 g/mol
Sample ID 3143
Solvent DMSO-D6