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methanone, [hexahydro-4-hydroxy-6-(3-phenoxyphenyl)-2-thioxo-4-(trifluoromethyl)-5-pyrimidinyl]phenyl-
SpectraBase Compound ID 13BdBklH7gs
InChI InChI=1S/C24H19F3N2O3S/c25-24(26,27)23(31)19(21(30)15-8-3-1-4-9-15)20(28-22(33)29-23)16-10-7-13-18(14-16)32-17-11-5-2-6-12-17/h1-14,19-20,31H,(H2,28,29,33)
InChIKey QUSHGXPSJCXDML-UHFFFAOYSA-N
Mol Weight 472.48 g/mol
Molecular Formula C24H19F3N2O3S
Exact Mass 472.106848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ga96LWUeWlT
Name methanone, [hexahydro-4-hydroxy-6-(3-phenoxyphenyl)-2-thioxo-4-(trifluoromethyl)-5-pyrimidinyl]phenyl-
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/C24H19F3N2O3S/c25-24(26,27)23(31)19(21(30)15-8-3-1-4-9-15)20(28-22(33)29-23)16-10-7-13-18(14-16)32-17-11-5-2-6-12-17/h1-14,19-20,31H,(H2,28,29,33)
InChIKey QUSHGXPSJCXDML-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2351
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: NMR/11268972