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

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5-(3,4-dimethoxyphenyl)-4-(4-(N,N-dimethylsulfamoyl)benzoyl)-1-(2-(morpholino-4-ium)ethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate
SpectraBase Compound ID KnaySCfcEHC
InChI InChI=1S/C27H33N3O8S/c1-28(2)39(34,35)20-8-5-18(6-9-20)25(31)23-24(19-7-10-21(36-3)22(17-19)37-4)30(27(33)26(23)32)12-11-29-13-15-38-16-14-29/h5-10,17,24,32H,11-16H2,1-4H3
InChIKey PWOKWDDLVJBCTI-UHFFFAOYSA-N
Mol Weight 559.6 g/mol
Molecular Formula C27H33N3O8S
Exact Mass 559.198836 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IS9crfH5w0I
Name 5-(3,4-dimethoxyphenyl)-4-(4-(N,N-dimethylsulfamoyl)benzoyl)-1-(2-(morpholino-4-ium)ethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H33N3O8S/c1-28(2)39(34,35)20-8-5-18(6-9-20)25(31)23-24(19-7-10-21(36-3)22(17-19)37-4)30(27(33)26(23)32)12-11-29-13-15-38-16-14-29/h5-10,17,24,32H,11-16H2,1-4H3
InChIKey PWOKWDDLVJBCTI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_1917
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/11268342