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

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1,3-Bis(4-methoxy-phenyl)-2,4-bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl)-5-methyl-biguanide
SpectraBase Compound ID KcViRIzkDsL
InChI InChI=1S/C27H31N11O4S2/c1-16-22(39)37(26(43-6)32-30-16)34-24(28-3)36(19-10-14-21(42-5)15-11-19)25(29-18-8-12-20(41-4)13-9-18)35-38-23(40)17(2)31-33-27(38)44-7/h8-15H,1-7H3,(H,28,34)(H,29,35)
InChIKey VVNCPIWRYWDHAU-UHFFFAOYSA-N
Mol Weight 637.74 g/mol
Molecular Formula C27H31N11O4S2
Exact Mass 637.200191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BgsrQyup6mZ
Name 1,3-Bis(4-methoxy-phenyl)-2,4-bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl)-5-methyl-biguanide
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H31N11O4S2
InChI InChI=1S/C27H31N11O4S2/c1-16-22(39)37(26(43-6)32-30-16)34-24(28-3)36(19-10-14-21(42-5)15-11-19)25(29-18-8-12-20(41-4)13-9-18)35-38-23(40)17(2)31-33-27(38)44-7/h8-15H,1-7H3,(H,28,34)(H,29,35)
InChIKey VVNCPIWRYWDHAU-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