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4(3H)-pyrimidinone, 6-[[(4-chlorophenyl)thio]methyl]-2-[(2-hydroxy-4-phenyl-3-quinolinyl)thio]-
SpectraBase Compound ID 685LA2Oshbv
InChI InChI=1S/C26H18ClN3O2S2/c27-17-10-12-19(13-11-17)33-15-18-14-22(31)30-26(28-18)34-24-23(16-6-2-1-3-7-16)20-8-4-5-9-21(20)29-25(24)32/h1-14H,15H2,(H,29,32)(H,28,30,31)
InChIKey HUBUHGGQDXDORI-UHFFFAOYSA-N
Mol Weight 504.02 g/mol
Molecular Formula C26H18ClN3O2S2
Exact Mass 503.052897 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2wvFKYDOcwx
Name 4(3H)-pyrimidinone, 6-[[(4-chlorophenyl)thio]methyl]-2-[(2-hydroxy-4-phenyl-3-quinolinyl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 503.052896878 u
Formula C26H18ClN3O2S2
InChI InChI=1S/C26H18ClN3O2S2/c27-17-10-12-19(13-11-17)33-15-18-14-22(31)30-26(28-18)34-24-23(16-6-2-1-3-7-16)20-8-4-5-9-21(20)29-25(24)32/h1-14H,15H2,(H,29,32)(H,28,30,31)
InChIKey HUBUHGGQDXDORI-UHFFFAOYSA-N
Molecular Weight 504.022 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16410
Solvent DMSO-d6
Source Vendor ID: NMR/11241950; Lab Info: PRE; Lab Number: PRE-1000035