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N-(3,4-dimethylphenyl)-N''-(6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-2-pyrimidinyl)guanidine
SpectraBase Compound ID cen7Fz7Q5u
InChI InChI=1S/C21H23N5OS/c1-13-4-8-18(9-5-13)28-12-17-11-19(27)25-21(24-17)26-20(22)23-16-7-6-14(2)15(3)10-16/h4-11H,12H2,1-3H3,(H4,22,23,24,25,26,27)
InChIKey NGVSJWLMTIJFKU-UHFFFAOYSA-N
Mol Weight 393.51 g/mol
Molecular Formula C21H23N5OS
Exact Mass 393.162332 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 94eHlIogbUP
Name N-(3,4-dimethylphenyl)-N''-(6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-2-pyrimidinyl)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 393.162331554 u
Formula C21H23N5OS
InChI InChI=1S/C21H23N5OS/c1-13-4-8-18(9-5-13)28-12-17-11-19(27)25-21(24-17)26-20(22)23-16-7-6-14(2)15(3)10-16/h4-11H,12H2,1-3H3,(H4,22,23,24,25,26,27)
InChIKey NGVSJWLMTIJFKU-UHFFFAOYSA-N
Molecular Weight 393.509 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_258
Solvent DMSO-d6
Source Vendor ID: NMR/12259948