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3-(4-Bromophenyl)-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 CEsADaX0A75
InChI InChI=1S/C27H18BrN4OS.BrH/c28-22-13-11-19(12-14-22)23-17-34-27-30-31-24(20-9-5-2-6-10-20)15-21(18-7-3-1-4-8-18)16-25(31)26(33)32(27)29-23;/h1-16H,17H2;1H/q+1;/p-1
InChIKey UWRRWFRBIFTHCE-UHFFFAOYSA-M
Mol Weight 606.34 g/mol
Molecular Formula C27H18Br2N4OS
Exact Mass 603.956808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7wH1z2SvBZ
Name 3-(4-Bromophenyl)-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 C27H18Br2N4OS
InChI InChI=1S/C27H18BrN4OS.BrH/c28-22-13-11-19(12-14-22)23-17-34-27-30-31-24(20-9-5-2-6-10-20)15-21(18-7-3-1-4-8-18)16-25(31)26(33)32(27)29-23;/h1-16H,17H2;1H/q+1;/p-1
InChIKey UWRRWFRBIFTHCE-UHFFFAOYSA-M
Molecular Weight 606.336 g/mol
SMILES [Br-].c12[n+](N=C3N(C2=O)N=C(CS3)c2ccc(Br)cc2)c(cc(c1)-c1ccccc1)-c1ccccc1
SPLASH splash10-001i-4950000000-fa4329bf73c2a473a2e9
Source of Spectrum SO-0-698-4
Synonyms 2-(4-bromophenyl)-11-oxo-7,9-diphenyl-3H,11H-pyrido[2',1':6,1][1,2,4]triazino[3,4-b][1,3,4]thiadiazin-6-ium bromide
Wiley ID 1538301