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1,3,5-triazine-2,4-diamine, N~2~,N~4~-bis(3,4-dimethylphenyl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-
SpectraBase Compound ID 2lxbTgfQ5Up
InChI InChI=1S/C22H23N7S2/c1-12-6-8-17(10-14(12)3)23-19-25-20(24-18-9-7-13(2)15(4)11-18)27-21(26-19)31-22-29-28-16(5)30-22/h6-11H,1-5H3,(H2,23,24,25,26,27)
InChIKey ZJKRMBZTFBTGHH-UHFFFAOYSA-N
Mol Weight 449.6 g/mol
Molecular Formula C22H23N7S2
Exact Mass 449.145636 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B3M7T8tqfoP
Name 1,3,5-triazine-2,4-diamine, N~2~,N~4~-bis(3,4-dimethylphenyl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)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 449.145636117 u
Formula C22H23N7S2
InChI InChI=1S/C22H23N7S2/c1-12-6-8-17(10-14(12)3)23-19-25-20(24-18-9-7-13(2)15(4)11-18)27-21(26-19)31-22-29-28-16(5)30-22/h6-11H,1-5H3,(H2,23,24,25,26,27)
InChIKey ZJKRMBZTFBTGHH-UHFFFAOYSA-N
Molecular Weight 449.595 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3966
Solvent DMSO-d6
Source Vendor ID: ZI/9029700; Lab Info: VGY; Lab Number: VGY-0005750
Temperature 29.85 °C