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benzenepropanoic acid, 4-chloro-beta-[[[(E)-(tetrahydro-1-(4-methoxyphenyl)-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]methyl]-

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benzenepropanoic acid, 4-chloro-beta-[[[(E)-(tetrahydro-1-(4-methoxyphenyl)-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]methyl]-
SpectraBase Compound ID 7PbSkzdS44G
InChI InChI=1S/C22H20ClN3O6/c1-32-17-8-6-16(7-9-17)26-21(30)18(20(29)25-22(26)31)12-24-11-14(10-19(27)28)13-2-4-15(23)5-3-13/h2-9,12,14,24H,10-11H2,1H3,(H,27,28)(H,25,29,31)/b18-12+
InChIKey KQAFIZYGCJYPDC-LDADJPATSA-N
Mol Weight 457.87 g/mol
Molecular Formula C22H20ClN3O6
Exact Mass 457.104063 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EKsbZcPgCKm
Name benzenepropanoic acid, 4-chloro-beta-[[[(E)-(tetrahydro-1-(4-methoxyphenyl)-2,4,6-trioxo-5(2H)-pyrimidinylidene)methyl]amino]methyl]-
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/C22H20ClN3O6/c1-32-17-8-6-16(7-9-17)26-21(30)18(20(29)25-22(26)31)12-24-11-14(10-19(27)28)13-2-4-15(23)5-3-13/h2-9,12,14,24H,10-11H2,1H3,(H,27,28)(H,25,29,31)/b18-12+
InChIKey KQAFIZYGCJYPDC-LDADJPATSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_205
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: F03259; Labnumber: KV-05-054-1075