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4-chloro-3-{5-[(E)-(4,6-dioxo-1-phenyl-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID U6rpwrC4gf
InChI InChI=1S/C22H13ClN2O5S/c23-17-8-6-12(21(28)29)10-15(17)18-9-7-14(30-18)11-16-19(26)24-22(31)25(20(16)27)13-4-2-1-3-5-13/h1-11H,(H,28,29)(H,24,26,31)/b16-11+
InChIKey JIENTYPPRFCUSK-LFIBNONCSA-N
Mol Weight 452.87 g/mol
Molecular Formula C22H13ClN2O5S
Exact Mass 452.02337 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GM3e6CF0aq4
Name 4-chloro-3-{5-[(E)-(4,6-dioxo-1-phenyl-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/C22H13ClN2O5S/c23-17-8-6-12(21(28)29)10-15(17)18-9-7-14(30-18)11-16-19(26)24-22(31)25(20(16)27)13-4-2-1-3-5-13/h1-11H,(H,28,29)(H,24,26,31)/b16-11+
InChIKey JIENTYPPRFCUSK-LFIBNONCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11859
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: 1003575; UBI_ID: UBI-011862
Synonyms 4-chloro-3-{5-[(4,6-dioxo-1-phenyl-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Temperature 318 °C