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3-Phenyl-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 9zB6p9YR6Fu
InChI InChI=1S/C27H19N4OS.BrH/c32-26-25-17-22(19-10-4-1-5-11-19)16-24(21-14-8-3-9-15-21)30(25)29-27-31(26)28-23(18-33-27)20-12-6-2-7-13-20;/h1-17H,18H2;1H/q+1;/p-1
InChIKey CTIMWRCPOKAYKT-UHFFFAOYSA-M
Mol Weight 527.44 g/mol
Molecular Formula C27H19BrN4OS
Exact Mass 526.046295 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KIrGjcWpxKC
Name 3-Phenyl-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 C27H19BrN4OS
InChI InChI=1S/C27H19N4OS.BrH/c32-26-25-17-22(19-10-4-1-5-11-19)16-24(21-14-8-3-9-15-21)30(25)29-27-31(26)28-23(18-33-27)20-12-6-2-7-13-20;/h1-17H,18H2;1H/q+1;/p-1
InChIKey CTIMWRCPOKAYKT-UHFFFAOYSA-M
Molecular Weight 527.440 g/mol
SMILES [Br-].c12[n+](N=C3N(C2=O)N=C(CS3)c2ccccc2)c(cc(c1)-c1ccccc1)-c1ccccc1
SPLASH splash10-001i-7290100000-c4ed710e956bd92da539
Source of Spectrum SO-0-698-4
Synonyms 11-oxo-2,7,9-triphenyl-3H,11H-pyrido[2',1':6,1][1,2,4]triazino[3,4-b][1,3,4]thiadiazin-6-ium bromide
Wiley ID 1538302