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5-(4-chlorophenyl)-1-(2-(morpholino-4-ium)ethyl)-4-(4-(morpholinosulfonyl)benzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate
SpectraBase Compound ID HuI9aOe5vtp
InChI InChI=1S/C27H30ClN3O7S/c28-21-5-1-19(2-6-21)24-23(26(33)27(34)31(24)10-9-29-11-15-37-16-12-29)25(32)20-3-7-22(8-4-20)39(35,36)30-13-17-38-18-14-30/h1-8,24,33H,9-18H2
InChIKey ITUAKKFGMKUOFM-UHFFFAOYSA-N
Mol Weight 576.06 g/mol
Molecular Formula C27H30ClN3O7S
Exact Mass 575.149299 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3bnr9l9aGZC
Name 5-(4-chlorophenyl)-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/C27H30ClN3O7S/c28-21-5-1-19(2-6-21)24-23(26(33)27(34)31(24)10-9-29-11-15-37-16-12-29)25(32)20-3-7-22(8-4-20)39(35,36)30-13-17-38-18-14-30/h1-8,24,33H,9-18H2
InChIKey ITUAKKFGMKUOFM-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_1963
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/11268438