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benzoic acid, 4-[4-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-3-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-2-thioxo-1-imidazolidinyl]-, ethyl ester

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benzoic acid, 4-[4-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-3-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-2-thioxo-1-imidazolidinyl]-, ethyl ester
SpectraBase Compound ID 2ze5TDEGXlW
InChI InChI=1S/C27H32FN5O4S/c1-3-37-26(36)19-4-10-22(11-5-19)33-25(35)23(18-24(34)29-21-8-6-20(28)7-9-21)32(27(33)38)17-16-31-14-12-30(2)13-15-31/h4-11,23H,3,12-18H2,1-2H3,(H,29,34)
InChIKey UESXCCINJOEOQC-UHFFFAOYSA-N
Mol Weight 541.6 g/mol
Molecular Formula C27H32FN5O4S
Exact Mass 541.215904 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LDPV2kdeCyg
Name benzoic acid, 4-[4-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-3-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-2-thioxo-1-imidazolidinyl]-, ethyl ester
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/C27H32FN5O4S/c1-3-37-26(36)19-4-10-22(11-5-19)33-25(35)23(18-24(34)29-21-8-6-20(28)7-9-21)32(27(33)38)17-16-31-14-12-30(2)13-15-31/h4-11,23H,3,12-18H2,1-2H3,(H,29,34)
InChIKey UESXCCINJOEOQC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_8558
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/12258959