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METHYL-3-(4'-PHENYL-1'H-PYRROL-3'-YLSULFONYL)-4-PHENYL-3H-PYRROLE-3-CARBOXYLATE
SpectraBase Compound ID 3fHQctx0j5L
InChI InChI=1S/C22H18N2O4S/c1-28-21(25)22(15-24-13-19(22)17-10-6-3-7-11-17)29(26,27)20-14-23-12-18(20)16-8-4-2-5-9-16/h2-15,23H,1H3
InChIKey DHZRWKSJGOFCII-UHFFFAOYSA-N
Mol Weight 406.46 g/mol
Molecular Formula C22H18N2O4S
Exact Mass 406.098728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5hOEtwxefyn
Name METHYL-3-(4'-PHENYL-1'H-PYRROL-3'-YLSULFONYL)-4-PHENYL-3H-PYRROLE-3-CARBOXYLATE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18N2O4S
InChI InChI=1S/C22H18N2O4S/c1-28-21(25)22(15-24-13-19(22)17-10-6-3-7-11-17)29(26,27)20-14-23-12-18(20)16-8-4-2-5-9-16/h2-15,23H,1H3
InChIKey DHZRWKSJGOFCII-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 406.456 g/mol
Sample ID 3138
Solvent DMSO-D6