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

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(5Z)-1-(2,5-dimethoxyphenyl)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 82KaA0aa6oA
InChI InChI=1S/C25H22FN3O4S/c1-14-11-16(15(2)28(14)18-7-5-17(26)6-8-18)12-20-23(30)27-25(34)29(24(20)31)21-13-19(32-3)9-10-22(21)33-4/h5-13H,1-4H3,(H,27,30,34)/b20-12-
InChIKey BUJSAMFUZQZADQ-NDENLUEZSA-N
Mol Weight 479.53 g/mol
Molecular Formula C25H22FN3O4S
Exact Mass 479.131506 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EuUdeiuSurU
Name (5Z)-1-(2,5-dimethoxyphenyl)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-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/C25H22FN3O4S/c1-14-11-16(15(2)28(14)18-7-5-17(26)6-8-18)12-20-23(30)27-25(34)29(24(20)31)21-13-19(32-3)9-10-22(21)33-4/h5-13H,1-4H3,(H,27,30,34)/b20-12-
InChIKey BUJSAMFUZQZADQ-NDENLUEZSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3744
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: D93751; Labnumber: KKA-0212B-0557; SBI_ID: SBI-003746
Synonyms 1-(2,5-dimethoxyphenyl)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 315 °C