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4-{3-[(E)-(1-(4-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid

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4-{3-[(E)-(1-(4-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
SpectraBase Compound ID NqegvfLIVA
InChI InChI=1S/C24H18FN3O5/c1-13-11-16(14(2)27(13)18-7-3-15(4-8-18)23(31)32)12-20-21(29)26-24(33)28(22(20)30)19-9-5-17(25)6-10-19/h3-12H,1-2H3,(H,31,32)(H,26,29,33)/b20-12+
InChIKey DHDSBNKKVGECOV-UDWIEESQSA-N
Mol Weight 447.42 g/mol
Molecular Formula C24H18FN3O5
Exact Mass 447.123049 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LngG4dneXmi
Name 4-{3-[(E)-(1-(4-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
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/C24H18FN3O5/c1-13-11-16(14(2)27(13)18-7-3-15(4-8-18)23(31)32)12-20-21(29)26-24(33)28(22(20)30)19-9-5-17(25)6-10-19/h3-12H,1-2H3,(H,31,32)(H,26,29,33)/b20-12+
InChIKey DHDSBNKKVGECOV-UDWIEESQSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9684
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: 133712; Labnumber: AREF2K-3190; VK_ID: VK-009688
Synonyms 4-{3-[(1-(4-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Temperature 315 °C