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benzoic acid, 4-[[[4-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-1-piperazinyl]acetyl]amino]-, methyl ester
SpectraBase Compound ID 8aQclLKs2Jk
InChI InChI=1S/C22H25FN4O4/c1-31-22(30)16-2-6-18(7-3-16)24-20(28)14-26-10-12-27(13-11-26)15-21(29)25-19-8-4-17(23)5-9-19/h2-9H,10-15H2,1H3,(H,24,28)(H,25,29)
InChIKey ITCBKWXGPHOECH-UHFFFAOYSA-N
Mol Weight 428.46 g/mol
Molecular Formula C22H25FN4O4
Exact Mass 428.185983 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Af85XaAUASh
Name benzoic acid, 4-[[[4-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-1-piperazinyl]acetyl]amino]-, methyl 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/C22H25FN4O4/c1-31-22(30)16-2-6-18(7-3-16)24-20(28)14-26-10-12-27(13-11-26)15-21(29)25-19-8-4-17(23)5-9-19/h2-9H,10-15H2,1H3,(H,24,28)(H,25,29)
InChIKey ITCBKWXGPHOECH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6155
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/12219810