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1,3-Bis(4-fluoro-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-fluoro-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 KOUVe7S6O5O
InChI InChI=1S/C25H25F2N11O2S2/c1-14-20(39)37(24(41-4)32-30-14)34-22(28-3)36(19-12-8-17(27)9-13-19)23(29-18-10-6-16(26)7-11-18)35-38-21(40)15(2)31-33-25(38)42-5/h6-13H,1-5H3,(H,28,34)(H,29,35)
InChIKey WAPXOAPQWALCHT-UHFFFAOYSA-N
Mol Weight 613.67 g/mol
Molecular Formula C25H25F2N11O2S2
Exact Mass 613.160218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K22hICAnkeh
Name 1,3-Bis(4-fluoro-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 C25H25F2N11O2S2
InChI InChI=1S/C25H25F2N11O2S2/c1-14-20(39)37(24(41-4)32-30-14)34-22(28-3)36(19-12-8-17(27)9-13-19)23(29-18-10-6-16(26)7-11-18)35-38-21(40)15(2)31-33-25(38)42-5/h6-13H,1-5H3,(H,28,34)(H,29,35)
InChIKey WAPXOAPQWALCHT-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