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3,3-((Diselanediylbis(4,1-phenylene))bis(azanediyl))bis(4-amino-6-benzyl-1,2,4-triazin-5(4H)-one
SpectraBase Compound ID ICvqexMbGMQ
InChI InChI=1S/C32H28N10O2Se2/c33-41-29(43)27(19-21-7-3-1-4-8-21)37-39-31(41)35-23-11-15-25(16-12-23)45-46-26-17-13-24(14-18-26)36-32-40-38-28(30(44)42(32)34)20-22-9-5-2-6-10-22/h1-18H,19-20,33-34H2,(H,35,39)(H,36,40)
InChIKey XNFKYCZSSCQJIV-UHFFFAOYSA-N
Mol Weight 742.6 g/mol
Molecular Formula C32H28N10O2Se2
Exact Mass 744.072714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WSbQMh1OsG
Name 3,3-((Diselanediylbis(4,1-phenylene))bis(azanediyl))bis(4-amino-6-benzyl-1,2,4-triazin-5(4H)-one
Appearance Brown powder
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Formula C32H28N10O2Se2
InChI InChI=1S/C32H28N10O2Se2/c33-41-29(43)27(19-21-7-3-1-4-8-21)37-39-31(41)35-23-11-15-25(16-12-23)45-46-26-17-13-24(14-18-26)36-32-40-38-28(30(44)42(32)34)20-22-9-5-2-6-10-22/h1-18H,19-20,33-34H2,(H,35,39)(H,36,40)
InChIKey XNFKYCZSSCQJIV-UHFFFAOYSA-N
Instrument Name Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3401
Molecular Weight 742.588 g/mol
SMILES NN1C(C(=NN=C1Nc1ccc([Se][Se]c2ccc(cc2)NC2=NN=C(C(N2N)=O)Cc2ccccc2)cc1)Cc1ccccc1)=O
SPLASH splash10-056r-9500000000-7f6e8e64a8bb7c801460
Source of Spectrum Y-56-248-15
Thin-Layer Chromatography Rf = 0.21 [ethyl acetate/pet. ether (60:80)/(4:2.5)]
Wiley ID 1859306