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3-(Biphenyl)-6-oxo-8,10-diphenyl-2H,6H-pyrido[2,1-f][1,3,4]thiadiazino[2,3-c][1,2,4]triazin-11-ium bromide
SpectraBase Compound ID GsAjDdndtZl
InChI InChI=1S/C33H23N4OS.BrH/c38-32-31-21-28(24-12-6-2-7-13-24)20-30(27-14-8-3-9-15-27)36(31)35-33-37(32)34-29(22-39-33)26-18-16-25(17-19-26)23-10-4-1-5-11-23;/h1-21H,22H2;1H/q+1;/p-1
InChIKey UHGAWSMGQNIBRV-UHFFFAOYSA-M
Mol Weight 603.5 g/mol
Molecular Formula C33H23BrN4OS
Exact Mass 602.077596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLyqPdFgydr
Name 3-(Biphenyl)-6-oxo-8,10-diphenyl-2H,6H-pyrido[2,1-f][1,3,4]thiadiazino[2,3-c][1,2,4]triazin-11-ium bromide
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Formula C33H23BrN4OS
InChI InChI=1S/C33H23N4OS.BrH/c38-32-31-21-28(24-12-6-2-7-13-24)20-30(27-14-8-3-9-15-27)36(31)35-33-37(32)34-29(22-39-33)26-18-16-25(17-19-26)23-10-4-1-5-11-23;/h1-21H,22H2;1H/q+1;/p-1
InChIKey UHGAWSMGQNIBRV-UHFFFAOYSA-M
Molecular Weight 603.538 g/mol
SMILES [Br-].c12[n+](N=C3N(C2=O)N=C(CS3)c2ccc(-c3ccccc3)cc2)c(cc(c1)-c1ccccc1)-c1ccccc1
SPLASH splash10-001i-9640000000-7e8ef590430825567944
Source of Spectrum SO-0-698-4
Wiley ID 1538298