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3-{[(1E)-1-(1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)propyl]amino}benzoic acid
SpectraBase Compound ID 9ERp0HJhcgZ
InChI InChI=1S/C21H19N3O5/c1-3-16(22-14-6-4-5-13(11-14)20(27)28)17-18(25)23-21(29)24(19(17)26)15-9-7-12(2)8-10-15/h4-11,22H,3H2,1-2H3,(H,27,28)(H,23,25,29)/b17-16+
InChIKey NTQMTUSSUBHZBW-WUKNDPDISA-N
Mol Weight 393.4 g/mol
Molecular Formula C21H19N3O5
Exact Mass 393.132471 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fw8eO1aUOyA
Name 3-{[(1E)-1-(1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)propyl]amino}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/C21H19N3O5/c1-3-16(22-14-6-4-5-13(11-14)20(27)28)17-18(25)23-21(29)24(19(17)26)15-9-7-12(2)8-10-15/h4-11,22H,3H2,1-2H3,(H,27,28)(H,23,25,29)/b17-16+
InChIKey NTQMTUSSUBHZBW-WUKNDPDISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4739
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: E10320; Labnumber: KKA-0212A-1266; SBI_ID: SBI-004741
Synonyms 3-{[1-(1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)propyl]amino}benzoic acid
Temperature 318 °C