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5-(4-methoxyphenyl)-1-(2-(morpholino-4-ium)ethyl)-4-(4-(morpholinosulfonyl)benzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate
SpectraBase Compound ID EDQdmI4xSt8
InChI InChI=1S/C28H33N3O8S/c1-37-22-6-2-20(3-7-22)25-24(27(33)28(34)31(25)11-10-29-12-16-38-17-13-29)26(32)21-4-8-23(9-5-21)40(35,36)30-14-18-39-19-15-30/h2-9,25,33H,10-19H2,1H3
InChIKey BUMSVKXPNIVEOA-UHFFFAOYSA-N
Mol Weight 571.6 g/mol
Molecular Formula C28H33N3O8S
Exact Mass 571.198836 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3lALwp6miJV
Name 5-(4-methoxyphenyl)-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/C28H33N3O8S/c1-37-22-6-2-20(3-7-22)25-24(27(33)28(34)31(25)11-10-29-12-16-38-17-13-29)26(32)21-4-8-23(9-5-21)40(35,36)30-14-18-39-19-15-30/h2-9,25,33H,10-19H2,1H3
InChIKey BUMSVKXPNIVEOA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_1961
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/11268434