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2-chloro-4-{5-[(Z)-(1-(2-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID InzKoNvBqWg
InChI InChI=1S/C23H15ClN2O6/c1-12-4-2-3-5-18(12)26-21(28)16(20(27)25-23(26)31)11-14-7-9-19(32-14)13-6-8-15(22(29)30)17(24)10-13/h2-11H,1H3,(H,29,30)(H,25,27,31)/b16-11-
InChIKey HGPVKYZBJGYGRQ-WJDWOHSUSA-N
Mol Weight 450.83 g/mol
Molecular Formula C23H15ClN2O6
Exact Mass 450.061864 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4if5YmbRMMA
Name 2-chloro-4-{5-[(Z)-(1-(2-methylphenyl)-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/C23H15ClN2O6/c1-12-4-2-3-5-18(12)26-21(28)16(20(27)25-23(26)31)11-14-7-9-19(32-14)13-6-8-15(22(29)30)17(24)10-13/h2-11H,1H3,(H,29,30)(H,25,27,31)/b16-11-
InChIKey HGPVKYZBJGYGRQ-WJDWOHSUSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3564
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: 113198; Labnumber: PAVL-218224; VK_ID: VK-003565
Synonyms 2-chloro-4-{5-[(1-(2-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Temperature 313 °C