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(E,E)-Bis(3-bromobenzyl)-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 JvnpOF9cUVu
InChI InChI=1S/C26H24Br2N10O2S2/c1-15-21(39)37(25(41-3)31-29-15)33-23-35(13-17-7-5-9-19(27)11-17)24(36(23)14-18-8-6-10-20(28)12-18)34-38-22(40)16(2)30-32-26(38)42-4/h5-12H,13-14H2,1-4H3/b33-23-,34-24+
InChIKey QECJLUUGKTYFDH-HUMGCQOQSA-N
Mol Weight 732.47 g/mol
Molecular Formula C26H24Br2N10O2S2
Exact Mass 729.989188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMmt2IHf0d2
Name (Z,Z)-Bis(3-bromobenzyl)-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 C26H24Br2N10O2S2
InChI InChI=1S/C26H24Br2N10O2S2/c1-15-21(39)37(25(41-3)31-29-15)33-23-35(13-17-7-5-9-19(27)11-17)24(36(23)14-18-8-6-10-20(28)12-18)34-38-22(40)16(2)30-32-26(38)42-4/h5-12H,13-14H2,1-4H3/b33-23-,34-24+
InChIKey QECJLUUGKTYFDH-HUMGCQOQSA-N
Instrument Name Bruker AC-200
Literature Reference P. Molina, M. Alajarin, C. Lopez-Leonardo, J. Chem. Soc. Perkin I 199 (1992).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3