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

View entire compound with spectra: 1 NMR

(5E)-1-(3-fluorophenyl)-5-[(1-isopropyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID CODNRn9sKQz
InChI InChI=1S/C20H20FN3O2S/c1-11(2)23-12(3)8-14(13(23)4)9-17-18(25)22-20(27)24(19(17)26)16-7-5-6-15(21)10-16/h5-11H,1-4H3,(H,22,25,27)/b17-9+
InChIKey LRRIFIIWZNRQQT-RQZCQDPDSA-N
Mol Weight 385.46 g/mol
Molecular Formula C20H20FN3O2S
Exact Mass 385.126026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AzF6UJoln4v
Name (5E)-1-(3-fluorophenyl)-5-[(1-isopropyl-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/C20H20FN3O2S/c1-11(2)23-12(3)8-14(13(23)4)9-17-18(25)22-20(27)24(19(17)26)16-7-5-6-15(21)10-16/h5-11H,1-4H3,(H,22,25,27)/b17-9+
InChIKey LRRIFIIWZNRQQT-RQZCQDPDSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28174
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: D81554; Labnumber: SPDEM4-18915; SBI_ID: SBI-028178
Synonyms 1-(3-fluorophenyl)-5-[(1-isopropyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C