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

View entire compound with spectra: 1 NMR

(E,E)-1,3-Bis(4-methoxy-phenyl)-2,4-bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl-imino)-1,3-diazetidine
SpectraBase Compound ID BOTKrgdM8kq
InChI InChI=1S/C26H26N10O4S2/c1-15-21(37)35(25(41-5)29-27-15)31-23-33(17-7-11-19(39-3)12-8-17)24(34(23)18-9-13-20(40-4)14-10-18)32-36-22(38)16(2)28-30-26(36)42-6/h7-14H,1-6H3/b31-23-,32-24+
InChIKey NEDAKCPKCTXUAF-FNKNYVMZSA-N
Mol Weight 606.68 g/mol
Molecular Formula C26H26N10O4S2
Exact Mass 606.157992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64t78wKBIVc
Name (E,E)-1,3-Bis(4-methoxy-phenyl)-2,4-bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl-imino)-1,3-diazetidine
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Formula C26H26N10O4S2
InChI InChI=1S/C26H26N10O4S2/c1-15-21(37)35(25(41-5)29-27-15)31-23-33(17-7-11-19(39-3)12-8-17)24(34(23)18-9-13-20(40-4)14-10-18)32-36-22(38)16(2)28-30-26(36)42-6/h7-14H,1-6H3/b31-23-,32-24+
InChIKey NEDAKCPKCTXUAF-FNKNYVMZSA-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