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4-{3-[4-(4-chlorophenyl)-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl}benzoic acid
SpectraBase Compound ID KQ0ytK0dr7z
InChI InChI=1S/C21H20ClN3O4/c22-15-3-7-16(8-4-15)23-9-11-24(12-10-23)18-13-19(26)25(20(18)27)17-5-1-14(2-6-17)21(28)29/h1-8,18H,9-13H2,(H,28,29)
InChIKey MRBYPBJHVJZLNN-UHFFFAOYSA-N
Mol Weight 413.86 g/mol
Molecular Formula C21H20ClN3O4
Exact Mass 413.114234 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GAepNv6KXkO
Name 4-{3-[4-(4-chlorophenyl)-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl}benzoic acid
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/C21H20ClN3O4/c22-15-3-7-16(8-4-15)23-9-11-24(12-10-23)18-13-19(26)25(20(18)27)17-5-1-14(2-6-17)21(28)29/h1-8,18H,9-13H2,(H,28,29)
InChIKey MRBYPBJHVJZLNN-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10023
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: 134462; Labnumber: VLMP-0360; VK_ID: VK-010027
Temperature 308 °C