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6-{[(4-chlorophenyl)sulfanyl]methyl}-2-{[2-oxo-2-(2,2,4-trimethyl-4-phenyl-3,4-dihydro-1(2H)-quinolinyl)ethyl]sulfanyl}-4-pyrimidinol

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6-{[(4-chlorophenyl)sulfanyl]methyl}-2-{[2-oxo-2-(2,2,4-trimethyl-4-phenyl-3,4-dihydro-1(2H)-quinolinyl)ethyl]sulfanyl}-4-pyrimidinol
SpectraBase Compound ID 87PbAGEXtPD
InChI InChI=1S/C31H30ClN3O2S2/c1-30(2)20-31(3,21-9-5-4-6-10-21)25-11-7-8-12-26(25)35(30)28(37)19-39-29-33-23(17-27(36)34-29)18-38-24-15-13-22(32)14-16-24/h4-17H,18-20H2,1-3H3,(H,33,34,36)
InChIKey JZEDEROKZGTJQZ-UHFFFAOYSA-N
Mol Weight 576.17 g/mol
Molecular Formula C31H30ClN3O2S2
Exact Mass 575.146797 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2aiZD3czBfQ
Name 6-{[(4-chlorophenyl)sulfanyl]methyl}-2-{[2-oxo-2-(2,2,4-trimethyl-4-phenyl-3,4-dihydro-1(2H)-quinolinyl)ethyl]sulfanyl}-4-pyrimidinol
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/C31H30ClN3O2S2/c1-30(2)20-31(3,21-9-5-4-6-10-21)25-11-7-8-12-26(25)35(30)28(37)19-39-29-33-23(17-27(36)34-29)18-38-24-15-13-22(32)14-16-24/h4-17H,18-20H2,1-3H3,(H,33,34,36)
InChIKey JZEDEROKZGTJQZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5572
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: 121619; Labnumber: VGU-13778; VK_ID: VK-005575
Temperature 318 °C