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3-{5-[(Z)-(1-(4-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID C7OOYT5ugj8
InChI InChI=1S/C22H13FN2O6/c23-14-4-6-15(7-5-14)25-20(27)17(19(26)24-22(25)30)11-16-8-9-18(31-16)12-2-1-3-13(10-12)21(28)29/h1-11H,(H,28,29)(H,24,26,30)/b17-11-
InChIKey ZJHVSHZYWKSNTO-BOPFTXTBSA-N
Mol Weight 420.35 g/mol
Molecular Formula C22H13FN2O6
Exact Mass 420.075764 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2bNqMXIW3Nx
Name 3-{5-[(Z)-(1-(4-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}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/C22H13FN2O6/c23-14-4-6-15(7-5-14)25-20(27)17(19(26)24-22(25)30)11-16-8-9-18(31-16)12-2-1-3-13(10-12)21(28)29/h1-11H,(H,28,29)(H,24,26,30)/b17-11-
InChIKey ZJHVSHZYWKSNTO-BOPFTXTBSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25619
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: C69652; Labnumber: CEP2K-27712; SBI_ID: SBI-025623
Synonyms 3-{5-[(1-(4-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Temperature 306 °C