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(5E)-1-(2,4-dichlorophenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 4mSiLblRLt9
InChI InChI=1S/C21H13Cl2N3O3/c22-13-8-9-18(17(23)11-13)26-20(28)16(19(27)24-21(26)29)12-15-7-4-10-25(15)14-5-2-1-3-6-14/h1-12H,(H,24,27,29)/b16-12+
InChIKey RKORBQYROVHBEA-FOWTUZBSSA-N
Mol Weight 426.26 g/mol
Molecular Formula C21H13Cl2N3O3
Exact Mass 425.033397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9mNKfK13RPq
Name (5E)-1-(2,4-dichlorophenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C21H13Cl2N3O3/c22-13-8-9-18(17(23)11-13)26-20(28)16(19(27)24-21(26)29)12-15-7-4-10-25(15)14-5-2-1-3-6-14/h1-12H,(H,24,27,29)/b16-12+
InChIKey RKORBQYROVHBEA-FOWTUZBSSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10051
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: 1002466; UBI_ID: UBI-010054
Synonyms 1-(2,4-dichlorophenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 318 °C