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1,3,5-triazine-2,4-diamine, 6-[(1-methyl-1H-imidazol-2-yl)thio]-N~2~,N~4~-bis(2-methylphenyl)-
SpectraBase Compound ID 8ugvzjpbByQ
InChI InChI=1S/C21H21N7S/c1-14-8-4-6-10-16(14)23-18-25-19(24-17-11-7-5-9-15(17)2)27-20(26-18)29-21-22-12-13-28(21)3/h4-13H,1-3H3,(H2,23,24,25,26,27)
InChIKey BUGZVPJLYOOPKQ-UHFFFAOYSA-N
Mol Weight 403.51 g/mol
Molecular Formula C21H21N7S
Exact Mass 403.157915 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Iv68lQSITTW
Name 1,3,5-triazine-2,4-diamine, 6-[(1-methyl-1H-imidazol-2-yl)thio]-N~2~,N~4~-bis(2-methylphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.157914878 u
Formula C21H21N7S
InChI InChI=1S/C21H21N7S/c1-14-8-4-6-10-16(14)23-18-25-19(24-17-11-7-5-9-15(17)2)27-20(26-18)29-21-22-12-13-28(21)3/h4-13H,1-3H3,(H2,23,24,25,26,27)
InChIKey BUGZVPJLYOOPKQ-UHFFFAOYSA-N
Molecular Weight 403.508 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2415
Solvent DMSO-d6
Source Vendor ID: ZI/8140768; Lab Info: PRE; Lab Number: PRE-vgy4135