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

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(5E)-1-allyl-5-{[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID Gb4wj21UF2C
InChI InChI=1S/C20H17ClFN3O2S/c1-4-7-24-19(27)15(18(26)23-20(24)28)9-13-8-11(2)25(12(13)3)14-5-6-17(22)16(21)10-14/h4-6,8-10H,1,7H2,2-3H3,(H,23,26,28)/b15-9+
InChIKey KMHYHSUMQAZRCE-OQLLNIDSSA-N
Mol Weight 417.89 g/mol
Molecular Formula C20H17ClFN3O2S
Exact Mass 417.071404 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hl7TsIcvaqP
Name (5E)-1-allyl-5-{[1-(3-chloro-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/C20H17ClFN3O2S/c1-4-7-24-19(27)15(18(26)23-20(24)28)9-13-8-11(2)25(12(13)3)14-5-6-17(22)16(21)10-14/h4-6,8-10H,1,7H2,2-3H3,(H,23,26,28)/b15-9+
InChIKey KMHYHSUMQAZRCE-OQLLNIDSSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10066
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: 1002822; UBI_ID: UBI-010069
Synonyms 1-allyl-5-{[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 315 °C