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2-chloro-4-{3-[(E)-(4,6-dioxo-1-phenyl-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid

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2-chloro-4-{3-[(E)-(4,6-dioxo-1-phenyl-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
SpectraBase Compound ID 26NroYtSW11
InChI InChI=1S/C24H18ClN3O4S/c1-13-10-15(14(2)27(13)17-8-9-18(23(31)32)20(25)12-17)11-19-21(29)26-24(33)28(22(19)30)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,31,32)(H,26,29,33)/b19-11+
InChIKey WJXDVSAQHFNZNH-YBFXNURJSA-N
Mol Weight 479.94 g/mol
Molecular Formula C24H18ClN3O4S
Exact Mass 479.070655 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9nh7xunI7Xp
Name 2-chloro-4-{3-[(E)-(4,6-dioxo-1-phenyl-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}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/C24H18ClN3O4S/c1-13-10-15(14(2)27(13)17-8-9-18(23(31)32)20(25)12-17)11-19-21(29)26-24(33)28(22(19)30)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,31,32)(H,26,29,33)/b19-11+
InChIKey WJXDVSAQHFNZNH-YBFXNURJSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10721
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: UZI/1009803; UBI_ID: UBI-010724
Synonyms 2-chloro-4-{3-[(4,6-dioxo-1-phenyl-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Temperature 318 °C