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(5Z)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5Z)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID JiabClyzrOG
InChI InChI=1S/C25H23N3O2S/c1-15-5-9-20(10-6-15)27-17(3)13-19(18(27)4)14-22-23(29)26-25(31)28(24(22)30)21-11-7-16(2)8-12-21/h5-14H,1-4H3,(H,26,29,31)/b22-14-
InChIKey MVBFZYDGUWJRKS-HMAPJEAMSA-N
Mol Weight 429.54 g/mol
Molecular Formula C25H23N3O2S
Exact Mass 429.151098 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 55Mrhr3BY0o
Name (5Z)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C25H23N3O2S/c1-15-5-9-20(10-6-15)27-17(3)13-19(18(27)4)14-22-23(29)26-25(31)28(24(22)30)21-11-7-16(2)8-12-21/h5-14H,1-4H3,(H,26,29,31)/b22-14-
InChIKey MVBFZYDGUWJRKS-HMAPJEAMSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13922
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONE-d6
Source File Reference VendorID: D91075; Labnumber: KKA-0212B-0434; SBI_ID: SBI-013925
Synonyms 5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C