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3-{[(E)-(1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoic acid
SpectraBase Compound ID EW73Vo0FmmF
InChI InChI=1S/C20H17N3O5/c1-11-6-7-15(8-12(11)2)23-18(25)16(17(24)22-20(23)28)10-21-14-5-3-4-13(9-14)19(26)27/h3-10,21H,1-2H3,(H,26,27)(H,22,24,28)/b16-10+
InChIKey DUDOFWCTXZUFMF-MHWRWJLKSA-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 L7UBzRTOtCi
Name 3-{[(E)-(1-(3,4-dimethylphenyl)-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/c1-11-6-7-15(8-12(11)2)23-18(25)16(17(24)22-20(23)28)10-21-14-5-3-4-13(9-14)19(26)27/h3-10,21H,1-2H3,(H,26,27)(H,22,24,28)/b16-10+
InChIKey DUDOFWCTXZUFMF-MHWRWJLKSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9001
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: D40190; Labnumber: KKA-0211-3728; SBI_ID: SBI-009004
Synonyms 3-{[(1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoic acid
Temperature 306 °C