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6-chloro-3-{[4-hydroxy-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-4-phenyl-2(1H)-quinolinone
SpectraBase Compound ID KUiktGSbIg6
InChI InChI=1S/C20H11ClF3N3O2S/c21-11-6-7-13-12(8-11)16(10-4-2-1-3-5-10)17(18(29)25-13)30-19-26-14(20(22,23)24)9-15(28)27-19/h1-9H,(H,25,29)(H,26,27,28)
InChIKey ZJNXEXXWTWKTBE-UHFFFAOYSA-N
Mol Weight 449.84 g/mol
Molecular Formula C20H11ClF3N3O2S
Exact Mass 449.02126 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D8PU7oFqnfx
Name 6-chloro-3-{[4-hydroxy-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-4-phenyl-2(1H)-quinolinone
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/C20H11ClF3N3O2S/c21-11-6-7-13-12(8-11)16(10-4-2-1-3-5-10)17(18(29)25-13)30-19-26-14(20(22,23)24)9-15(28)27-19/h1-9H,(H,25,29)(H,26,27,28)
InChIKey ZJNXEXXWTWKTBE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17735
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: UZI/9067971; UBI_ID: UBI-017738
Temperature 308 °C