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

View entire compound with spectra: 1 NMR

(5E)-5-{[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-methyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID K7E8UlNNeL0
InChI InChI=1S/C18H15ClFN3O2S/c1-9-6-11(7-13-16(24)21-18(26)22(3)17(13)25)10(2)23(9)12-4-5-15(20)14(19)8-12/h4-8H,1-3H3,(H,21,24,26)/b13-7+
InChIKey HBCJTDALZHFVAG-NTUHNPAUSA-N
Mol Weight 391.85 g/mol
Molecular Formula C18H15ClFN3O2S
Exact Mass 391.055754 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IHlqvHBjEIY
Name (5E)-5-{[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-methyl-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/C18H15ClFN3O2S/c1-9-6-11(7-13-16(24)21-18(26)22(3)17(13)25)10(2)23(9)12-4-5-15(20)14(19)8-12/h4-8H,1-3H3,(H,21,24,26)/b13-7+
InChIKey HBCJTDALZHFVAG-NTUHNPAUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1486
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: C96328; Labnumber: SPDEM2-3149; SBI_ID: SBI-001488
Synonyms 5-{[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-methyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C