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4-(4-(N,N-dimethylsulfamoyl)benzoyl)-5-(4-isopropylphenyl)-1-(2-(morpholino-4-ium)ethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate

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4-(4-(N,N-dimethylsulfamoyl)benzoyl)-5-(4-isopropylphenyl)-1-(2-(morpholino-4-ium)ethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate
SpectraBase Compound ID LI5iCzEwXWh
InChI InChI=1S/C28H35N3O6S/c1-19(2)20-5-7-21(8-6-20)25-24(26(32)22-9-11-23(12-10-22)38(35,36)29(3)4)27(33)28(34)31(25)14-13-30-15-17-37-18-16-30/h5-12,19,25,33H,13-18H2,1-4H3
InChIKey LRJVEHKSSHKNEP-UHFFFAOYSA-N
Mol Weight 541.7 g/mol
Molecular Formula C28H35N3O6S
Exact Mass 541.224657 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8yCRn0qGbZZ
Name 4-(4-(N,N-dimethylsulfamoyl)benzoyl)-5-(4-isopropylphenyl)-1-(2-(morpholino-4-ium)ethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H35N3O6S/c1-19(2)20-5-7-21(8-6-20)25-24(26(32)22-9-11-23(12-10-22)38(35,36)29(3)4)27(33)28(34)31(25)14-13-30-15-17-37-18-16-30/h5-12,19,25,33H,13-18H2,1-4H3
InChIKey LRJVEHKSSHKNEP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_1916
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11268341