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2-chloro-4-{5-[(Z)-(1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID HAI14N1tgHh
InChI InChI=1S/C23H15ClN2O6S/c1-31-14-5-3-13(4-6-14)26-21(28)17(20(27)25-23(26)33)11-15-7-9-19(32-15)12-2-8-16(22(29)30)18(24)10-12/h2-11H,1H3,(H,29,30)(H,25,27,33)/b17-11-
InChIKey SIEJUTUWEKUJGP-BOPFTXTBSA-N
Mol Weight 482.89 g/mol
Molecular Formula C23H15ClN2O6S
Exact Mass 482.033935 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K4KamOWFcQV
Name 2-chloro-4-{5-[(Z)-(1-(4-methoxyphenyl)-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/C23H15ClN2O6S/c1-31-14-5-3-13(4-6-14)26-21(28)17(20(27)25-23(26)33)11-15-7-9-19(32-15)12-2-8-16(22(29)30)18(24)10-12/h2-11H,1H3,(H,29,30)(H,25,27,33)/b17-11-
InChIKey SIEJUTUWEKUJGP-BOPFTXTBSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3570
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: 113208; Labnumber: PAVL-218246; VK_ID: VK-003571
Synonyms 2-chloro-4-{5-[(1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Temperature 308 °C