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N''-(6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-2-pyrimidinyl)-N-(4-phenoxyphenyl)guanidine
SpectraBase Compound ID 611GinpaYee
InChI InChI=1S/C25H23N5O2S/c1-17-7-13-22(14-8-17)33-16-19-15-23(31)29-25(28-19)30-24(26)27-18-9-11-21(12-10-18)32-20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H4,26,27,28,29,30,31)
InChIKey MDKCZBGKSIBOQQ-UHFFFAOYSA-N
Mol Weight 457.55 g/mol
Molecular Formula C25H23N5O2S
Exact Mass 457.157246 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AQv8zDXmXQW
Name N''-(6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-2-pyrimidinyl)-N-(4-phenoxyphenyl)guanidine
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.157246173 u
Formula C25H23N5O2S
InChI InChI=1S/C25H23N5O2S/c1-17-7-13-22(14-8-17)33-16-19-15-23(31)29-25(28-19)30-24(26)27-18-9-11-21(12-10-18)32-20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H4,26,27,28,29,30,31)
InChIKey MDKCZBGKSIBOQQ-UHFFFAOYSA-N
Molecular Weight 457.552 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_281
Solvent DMSO-d6
Source Vendor ID: NMR/12259978