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2,4-Bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl)-5-methyl-1,3-diphenyl-biguanide

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2,4-Bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl)-5-methyl-1,3-diphenyl-biguanide
SpectraBase Compound ID 7q9yxPk6GJm
InChI InChI=1S/C25H27N11O2S2/c1-16-20(37)35(24(39-4)30-28-16)32-22(26-3)34(19-14-10-7-11-15-19)23(27-18-12-8-6-9-13-18)33-36-21(38)17(2)29-31-25(36)40-5/h6-15H,1-5H3,(H,26,32)(H,27,33)
InChIKey PPTXMUGEXRTSTD-UHFFFAOYSA-N
Mol Weight 577.69 g/mol
Molecular Formula C25H27N11O2S2
Exact Mass 577.179061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I3jz2TWnYFe
Name 2,4-Bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl)-5-methyl-1,3-diphenyl-biguanide
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H27N11O2S2
InChI InChI=1S/C25H27N11O2S2/c1-16-20(37)35(24(39-4)30-28-16)32-22(26-3)34(19-14-10-7-11-15-19)23(27-18-12-8-6-9-13-18)33-36-21(38)17(2)29-31-25(36)40-5/h6-15H,1-5H3,(H,26,32)(H,27,33)
InChIKey PPTXMUGEXRTSTD-UHFFFAOYSA-N
Literature Reference R.M. Claramunt, M.D. Foces-Foces, J. Chem. Soc. Perkin II 1859 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3