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ethyl 4-{2,5-dimethyl-3-[(E)-(1-(3-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}benzoate

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ethyl 4-{2,5-dimethyl-3-[(E)-(1-(3-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}benzoate
SpectraBase Compound ID ISQqsqqzfkf
InChI InChI=1S/C27H25N3O4S/c1-5-34-26(33)19-9-11-21(12-10-19)29-17(3)14-20(18(29)4)15-23-24(31)28-27(35)30(25(23)32)22-8-6-7-16(2)13-22/h6-15H,5H2,1-4H3,(H,28,31,35)/b23-15+
InChIKey SANIQQFTPAHRDJ-HZHRSRAPSA-N
Mol Weight 487.57 g/mol
Molecular Formula C27H25N3O4S
Exact Mass 487.156577 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H7UUFTqd5yA
Name ethyl 4-{2,5-dimethyl-3-[(E)-(1-(3-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}benzoate
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/C27H25N3O4S/c1-5-34-26(33)19-9-11-21(12-10-19)29-17(3)14-20(18(29)4)15-23-24(31)28-27(35)30(25(23)32)22-8-6-7-16(2)13-22/h6-15H,5H2,1-4H3,(H,28,31,35)/b23-15+
InChIKey SANIQQFTPAHRDJ-HZHRSRAPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_21254
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/9683989; UBI_ID: UBI-021258
Synonyms ethyl 4-{2,5-dimethyl-3-[(1-(3-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}benzoate
Temperature 315 °C