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3-{[(1Z)-1-(1-(4-methoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)ethyl]amino}benzoic acid
SpectraBase Compound ID 4eFo7FV52oU
InChI InChI=1S/C20H17N3O6/c1-11(21-13-5-3-4-12(10-13)19(26)27)16-17(24)22-20(28)23(18(16)25)14-6-8-15(29-2)9-7-14/h3-10,21H,1-2H3,(H,26,27)(H,22,24,28)/b16-11-
InChIKey MNQFTNGFDYQVHW-WJDWOHSUSA-N
Mol Weight 395.37 g/mol
Molecular Formula C20H17N3O6
Exact Mass 395.111735 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A3rEEcfkJTo
Name 3-{[(1Z)-1-(1-(4-methoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)ethyl]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/C20H17N3O6/c1-11(21-13-5-3-4-12(10-13)19(26)27)16-17(24)22-20(28)23(18(16)25)14-6-8-15(29-2)9-7-14/h3-10,21H,1-2H3,(H,26,27)(H,22,24,28)/b16-11-
InChIKey MNQFTNGFDYQVHW-WJDWOHSUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4707
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: E10261; Labnumber: KKA-0212A-0600; SBI_ID: SBI-004709
Synonyms 3-{[1-(1-(4-methoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)ethyl]amino}benzoic acid
Temperature 318 °C