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5-(3-bromophenyl)-1-(2-(morpholino-4-ium)ethyl)-4-(4-(morpholinosulfonyl)benzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate
SpectraBase Compound ID 1Zjp1rTKw7f
InChI InChI=1S/C27H30BrN3O7S/c28-21-3-1-2-20(18-21)24-23(26(33)27(34)31(24)9-8-29-10-14-37-15-11-29)25(32)19-4-6-22(7-5-19)39(35,36)30-12-16-38-17-13-30/h1-7,18,24,33H,8-17H2
InChIKey BCYAEBMFYUMUKE-UHFFFAOYSA-N
Mol Weight 620.52 g/mol
Molecular Formula C27H30BrN3O7S
Exact Mass 619.098784 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BSuy8CGjHEK
Name 5-(3-bromophenyl)-1-(2-(morpholino-4-ium)ethyl)-4-(4-(morpholinosulfonyl)benzoyl)-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/C27H30BrN3O7S/c28-21-3-1-2-20(18-21)24-23(26(33)27(34)31(24)9-8-29-10-14-37-15-11-29)25(32)19-4-6-22(7-5-19)39(35,36)30-12-16-38-17-13-30/h1-7,18,24,33H,8-17H2
InChIKey BCYAEBMFYUMUKE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_1964
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/11268439