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4-{5-[(Z)-(1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID 1SwYtVVqal1
InChI InChI=1S/C22H13FN2O5S/c23-16-3-1-2-4-17(16)25-20(27)15(19(26)24-22(25)31)11-14-9-10-18(30-14)12-5-7-13(8-6-12)21(28)29/h1-11H,(H,28,29)(H,24,26,31)/b15-11-
InChIKey IVEMSGHVLIZORC-PTNGSMBKSA-N
Mol Weight 436.41 g/mol
Molecular Formula C22H13FN2O5S
Exact Mass 436.052921 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AKxp0QDvGRJ
Name 4-{5-[(Z)-(1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydro-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/C22H13FN2O5S/c23-16-3-1-2-4-17(16)25-20(27)15(19(26)24-22(25)31)11-14-9-10-18(30-14)12-5-7-13(8-6-12)21(28)29/h1-11H,(H,28,29)(H,24,26,31)/b15-11-
InChIKey IVEMSGHVLIZORC-PTNGSMBKSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22786
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: D35810; Labnumber: SPDEM4-12431; SBI_ID: SBI-022790
Synonyms 4-{5-[(1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Temperature 308 °C