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N''-(6-{[(4-chlorophenyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-2-pyrimidinyl)-N-(3,4-dimethylphenyl)guanidine
SpectraBase Compound ID 7ImJ9TXjLXa
InChI InChI=1S/C20H20ClN5OS/c1-12-3-6-15(9-13(12)2)23-19(22)26-20-24-16(10-18(27)25-20)11-28-17-7-4-14(21)5-8-17/h3-10H,11H2,1-2H3,(H4,22,23,24,25,26,27)
InChIKey ZQNREZVADFWYSW-UHFFFAOYSA-N
Mol Weight 413.93 g/mol
Molecular Formula C20H20ClN5OS
Exact Mass 413.107709 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LGY86DrZxTx
Name N''-(6-{[(4-chlorophenyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-2-pyrimidinyl)-N-(3,4-dimethylphenyl)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 413.107709157 u
Formula C20H20ClN5OS
InChI InChI=1S/C20H20ClN5OS/c1-12-3-6-15(9-13(12)2)23-19(22)26-20-24-16(10-18(27)25-20)11-28-17-7-4-14(21)5-8-17/h3-10H,11H2,1-2H3,(H4,22,23,24,25,26,27)
InChIKey ZQNREZVADFWYSW-UHFFFAOYSA-N
Molecular Weight 413.927 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_259
Solvent DMSO-d6
Source Vendor ID: NMR/12259949