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

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1,3-Bis(4-fluoro-phenyl)-5-dimethylamino-2,4-bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl)-biguanide
SpectraBase Compound ID BBS8YoB4Itb
InChI InChI=1S/C26H28F2N12O2S2/c1-15-21(41)39(25(43-5)32-30-15)35-23(29-19-11-7-17(27)8-12-19)38(20-13-9-18(28)10-14-20)24(34-37(3)4)36-40-22(42)16(2)31-33-26(40)44-6/h7-14H,1-6H3,(H,29,35)(H,34,36)
InChIKey SBCVFPGLBJZKGT-UHFFFAOYSA-N
Mol Weight 642.71 g/mol
Molecular Formula C26H28F2N12O2S2
Exact Mass 642.186767 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8FFd9W0hZea
Name 1,3-Bis(4-fluoro-phenyl)-5-dimethylamino-2,4-bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl)-biguanide
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H28F2N12O2S2
InChI InChI=1S/C26H28F2N12O2S2/c1-15-21(41)39(25(43-5)32-30-15)35-23(29-19-11-7-17(27)8-12-19)38(20-13-9-18(28)10-14-20)24(34-37(3)4)36-40-22(42)16(2)31-33-26(40)44-6/h7-14H,1-6H3,(H,29,35)(H,34,36)
InChIKey SBCVFPGLBJZKGT-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