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(5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(2-phenylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 3TXHnf1Va69
InChI InChI=1S/C25H22ClN3O3/c1-16-14-19(17(2)29(16)21-10-8-20(26)9-11-21)15-22-23(30)27-25(32)28(24(22)31)13-12-18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3,(H,27,30,32)/b22-15-
InChIKey INFQZPUNNLBNLO-JCMHNJIXSA-N
Mol Weight 447.92 g/mol
Molecular Formula C25H22ClN3O3
Exact Mass 447.134969 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6h4hcWCU5Yl
Name (5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(2-phenylethyl)-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/C25H22ClN3O3/c1-16-14-19(17(2)29(16)21-10-8-20(26)9-11-21)15-22-23(30)27-25(32)28(24(22)31)13-12-18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3,(H,27,30,32)/b22-15-
InChIKey INFQZPUNNLBNLO-JCMHNJIXSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4761
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: E10380; Labnumber: KKA-0212B-0325; SBI_ID: SBI-004763
Synonyms 5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(2-phenylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 318 °C