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4-(4-(N,N-dimethylsulfamoyl)benzoyl)-1-(3-(morpholino-4-ium)propyl)-2-oxo-5-(pyridin-4-yl)-2,5-dihydro-1H-pyrrol-3-olate
SpectraBase Compound ID 77KGDhok3ep
InChI InChI=1S/C25H30N4O6S/c1-27(2)36(33,34)20-6-4-19(5-7-20)23(30)21-22(18-8-10-26-11-9-18)29(25(32)24(21)31)13-3-12-28-14-16-35-17-15-28/h4-11,22,31H,3,12-17H2,1-2H3
InChIKey TVZSCVOAIPJWJH-UHFFFAOYSA-N
Mol Weight 514.6 g/mol
Molecular Formula C25H30N4O6S
Exact Mass 514.188606 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 14hRVd47jZA
Name 4-(4-(N,N-dimethylsulfamoyl)benzoyl)-1-(3-(morpholino-4-ium)propyl)-2-oxo-5-(pyridin-4-yl)-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/C25H30N4O6S/c1-27(2)36(33,34)20-6-4-19(5-7-20)23(30)21-22(18-8-10-26-11-9-18)29(25(32)24(21)31)13-3-12-28-14-16-35-17-15-28/h4-11,22,31H,3,12-17H2,1-2H3
InChIKey TVZSCVOAIPJWJH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_1956
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/11268429