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

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5-(4-bromophenyl)-4-(4-(N,N-dimethylsulfamoyl)benzoyl)-1-(3-(morpholino-4-ium)propyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate
SpectraBase Compound ID KO5cOs5egWO
InChI InChI=1S/C26H30BrN3O6S/c1-28(2)37(34,35)21-10-6-19(7-11-21)24(31)22-23(18-4-8-20(27)9-5-18)30(26(33)25(22)32)13-3-12-29-14-16-36-17-15-29/h4-11,23,32H,3,12-17H2,1-2H3
InChIKey PLWAMMJMZRXSNN-UHFFFAOYSA-N
Mol Weight 592.51 g/mol
Molecular Formula C26H30BrN3O6S
Exact Mass 591.10387 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CP9QTyNtlfc
Name 5-(4-bromophenyl)-4-(4-(N,N-dimethylsulfamoyl)benzoyl)-1-(3-(morpholino-4-ium)propyl)-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/C26H30BrN3O6S/c1-28(2)37(34,35)21-10-6-19(7-11-21)24(31)22-23(18-4-8-20(27)9-5-18)30(26(33)25(22)32)13-3-12-29-14-16-36-17-15-29/h4-11,23,32H,3,12-17H2,1-2H3
InChIKey PLWAMMJMZRXSNN-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_1955
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/11268428