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METHYL-3-(4'-PHENYL-1H-PYRAZOL-3'-YLSULFONYL)-4-PHENYL-3H-PYRROLE-3-CARBOXYLATE
SpectraBase Compound ID KJMfpJQTOzO
InChI InChI=1S/C21H17N3O4S/c1-28-20(25)21(14-22-13-18(21)16-10-6-3-7-11-16)29(26,27)19-17(12-23-24-19)15-8-4-2-5-9-15/h2-14H,1H3,(H,23,24)
InChIKey UBOMSNQQHGRDTF-UHFFFAOYSA-N
Mol Weight 407.44 g/mol
Molecular Formula C21H17N3O4S
Exact Mass 407.093977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6mwC2yh8AW
Name METHYL-3-(4'-PHENYL-1H-PYRAZOL-3'-YLSULFONYL)-4-PHENYL-3H-PYRROLE-3-CARBOXYLATE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17N3O4S
InChI InChI=1S/C21H17N3O4S/c1-28-20(25)21(14-22-13-18(21)16-10-6-3-7-11-16)29(26,27)19-17(12-23-24-19)15-8-4-2-5-9-15/h2-14H,1H3,(H,23,24)
InChIKey UBOMSNQQHGRDTF-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 407.444 g/mol
Sample ID 3153
Solvent CDCl3