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4-methyl-3-{[(Z)-(1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoic acid
SpectraBase Compound ID 2cfMYPuC7V8
InChI InChI=1S/C20H17N3O5/c1-11-3-7-14(8-4-11)23-18(25)15(17(24)22-20(23)28)10-21-16-9-13(19(26)27)6-5-12(16)2/h3-10,21H,1-2H3,(H,26,27)(H,22,24,28)/b15-10-
InChIKey OAEGGGAPIWTUNY-GDNBJRDFSA-N
Mol Weight 379.37 g/mol
Molecular Formula C20H17N3O5
Exact Mass 379.116821 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JnwE7PGBKxt
Name 4-methyl-3-{[(Z)-(1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]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/C20H17N3O5/c1-11-3-7-14(8-4-11)23-18(25)15(17(24)22-20(23)28)10-21-16-9-13(19(26)27)6-5-12(16)2/h3-10,21H,1-2H3,(H,26,27)(H,22,24,28)/b15-10-
InChIKey OAEGGGAPIWTUNY-GDNBJRDFSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15991
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: UZI/8058428; UBI_ID: UBI-015994
Synonyms 4-methyl-3-{[(1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoic acid
Temperature 313 °C