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(5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylene}-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID BJwM5HPCF09
InChI InChI=1S/C21H13ClFN3O2S/c22-13-3-7-15(8-4-13)25-11-1-2-17(25)12-18-19(27)24-21(29)26(20(18)28)16-9-5-14(23)6-10-16/h1-12H,(H,24,27,29)/b18-12-
InChIKey AITYLPUKXUFSDL-PDGQHHTCSA-N
Mol Weight 425.87 g/mol
Molecular Formula C21H13ClFN3O2S
Exact Mass 425.040104 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ojU61AoFyj
Name (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylene}-1-(4-fluorophenyl)-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/C21H13ClFN3O2S/c22-13-3-7-15(8-4-13)25-11-1-2-17(25)12-18-19(27)24-21(29)26(20(18)28)16-9-5-14(23)6-10-16/h1-12H,(H,24,27,29)/b18-12-
InChIKey AITYLPUKXUFSDL-PDGQHHTCSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22813
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: D35842; Labnumber: SPDEM4-15314; SBI_ID: SBI-022817
Synonyms 5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylene}-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C