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ETHYL_1-BENZYL-3-DIETHYLAMINOSULFONYL-2-METHYLPYRROLE-5-CARBOXYLATE;MIXTURE_OF_TWO_CONFORMERS
SpectraBase Compound ID JuNVtdXGAin
InChI InChI=1S/2C19H26N2O4S/c2*1-5-20(6-2)26(23,24)18-13-17(19(22)25-7-3)21(15(18)4)14-16-11-9-8-10-12-16/h2*8-13H,5-7,14H2,1-4H3
InChIKey XHKDEUNOWIZALT-UHFFFAOYSA-N
Mol Weight 756.97 g/mol
Molecular Formula C38H52N4O8S2
Exact Mass 756.322657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FPDZeQwhUon
Name ETHYL_1-BENZYL-3-DIETHYLAMINOSULFONYL-2-METHYLPYRROLE-5-CARBOXYLATE;MIXTURE_OF_TWO_CONFORMERS
Compound Number 6N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H52N4O8S2
InChI InChI=1S/2C19H26N2O4S/c2*1-5-20(6-2)26(23,24)18-13-17(19(22)25-7-3)21(15(18)4)14-16-11-9-8-10-12-16/h2*8-13H,5-7,14H2,1-4H3
InChIKey XHKDEUNOWIZALT-UHFFFAOYSA-N
Literature Reference Author C.MORANTA,A.M.MOLINS-PUJOL,M.D.PUJOL,J.BONAL
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3285(1998)
Literature Reference DOI 10.1039/a803239d
Molecular Weight 756.973 g/mol
Solvent CDCl3
Source File Reference UWMZ3445