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(5Z)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID Fa5maJyiXzi
InChI InChI=1S/C23H26FN3O3/c1-4-5-6-7-12-26-22(29)20(21(28)25-23(26)30)14-17-13-15(2)27(16(17)3)19-10-8-18(24)9-11-19/h8-11,13-14H,4-7,12H2,1-3H3,(H,25,28,30)/b20-14-
InChIKey CLDZMBVZRCIHOL-ZHZULCJRSA-N
Mol Weight 411.48 g/mol
Molecular Formula C23H26FN3O3
Exact Mass 411.19582 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EqO5KkTiYIH
Name (5Z)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C23H26FN3O3/c1-4-5-6-7-12-26-22(29)20(21(28)25-23(26)30)14-17-13-15(2)27(16(17)3)19-10-8-18(24)9-11-19/h8-11,13-14H,4-7,12H2,1-3H3,(H,25,28,30)/b20-14-
InChIKey CLDZMBVZRCIHOL-ZHZULCJRSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3737
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: D93700; Labnumber: KKA-0212B-0304; SBI_ID: SBI-003739
Synonyms 5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 315 °C