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METHYL-3-(3',5'-DIPHENYLISOXAZOL-4'-YLSULFONYL)-4-PHENYL-3H-PYRROLE-3-CARBOXYLATE
SpectraBase Compound ID CvwEroJKUje
InChI InChI=1S/C27H20N2O5S/c1-33-26(30)27(18-28-17-22(27)19-11-5-2-6-12-19)35(31,32)25-23(20-13-7-3-8-14-20)29-34-24(25)21-15-9-4-10-16-21/h2-18H,1H3
InChIKey RMJLZKBEAHFWEU-UHFFFAOYSA-N
Mol Weight 484.53 g/mol
Molecular Formula C27H20N2O5S
Exact Mass 484.109293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1eZqWZ0jXxb
Name METHYL-3-(3',5'-DIPHENYLISOXAZOL-4'-YLSULFONYL)-4-PHENYL-3H-PYRROLE-3-CARBOXYLATE
Compound Number 10A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H20N2O5S
InChI InChI=1S/C27H20N2O5S/c1-33-26(30)27(18-28-17-22(27)19-11-5-2-6-12-19)35(31,32)25-23(20-13-7-3-8-14-20)29-34-24(25)21-15-9-4-10-16-21/h2-18H,1H3
InChIKey RMJLZKBEAHFWEU-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 484.526 g/mol
Sample ID 3159
Solvent DMSO-D6