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4-(3-ethoxy-4-hydroxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide

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4-(3-ethoxy-4-hydroxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
SpectraBase Compound ID AcwDCHaoFTt
InChI InChI=1S/C20H20FN3O3S/c1-3-27-16-10-12(4-9-15(16)25)18-17(11(2)22-20(28)24-18)19(26)23-14-7-5-13(21)6-8-14/h4-10,18,25H,3H2,1-2H3,(H,23,26)(H2,22,24,28)
InChIKey FQKKJFGCOSKBJX-UHFFFAOYSA-N
Mol Weight 401.46 g/mol
Molecular Formula C20H20FN3O3S
Exact Mass 401.120941 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3vnZFTarjJf
Name 4-(3-ethoxy-4-hydroxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
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/C20H20FN3O3S/c1-3-27-16-10-12(4-9-15(16)25)18-17(11(2)22-20(28)24-18)19(26)23-14-7-5-13(21)6-8-14/h4-10,18,25H,3H2,1-2H3,(H,23,26)(H2,22,24,28)
InChIKey FQKKJFGCOSKBJX-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5561
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: D22980; Labnumber: Tolk-0823; SBI_ID: SBI-005563
Temperature 308 °C