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

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4-(4-(N,N-dimethylsulfamoyl)benzoyl)-5-(5-methylfuran-2-yl)-1-(3-(morpholino-4-ium)propyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate
SpectraBase Compound ID I8DifjLrxb4
InChI InChI=1S/C25H31N3O7S/c1-17-5-10-20(35-17)22-21(23(29)18-6-8-19(9-7-18)36(32,33)26(2)3)24(30)25(31)28(22)12-4-11-27-13-15-34-16-14-27/h5-10,22,30H,4,11-16H2,1-3H3
InChIKey PWPFBQWKPVFZBE-UHFFFAOYSA-N
Mol Weight 517.6 g/mol
Molecular Formula C25H31N3O7S
Exact Mass 517.188272 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HhSD3xdBfFa
Name 4-(4-(N,N-dimethylsulfamoyl)benzoyl)-5-(5-methylfuran-2-yl)-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/C25H31N3O7S/c1-17-5-10-20(35-17)22-21(23(29)18-6-8-19(9-7-18)36(32,33)26(2)3)24(30)25(31)28(22)12-4-11-27-13-15-34-16-14-27/h5-10,22,30H,4,11-16H2,1-3H3
InChIKey PWPFBQWKPVFZBE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_1914
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/11268328