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3-(p-Bromophenyl)-6,8-diphenyl-1,3,4-thiadiazino[1,2-a]pyridinium bromide
SpectraBase Compound ID I470KktpBuU
InChI InChI=1S/C25H18BrN2S.BrH/c26-22-13-11-19(12-14-22)23-17-29-25-16-21(18-7-3-1-4-8-18)15-24(28(25)27-23)20-9-5-2-6-10-20;/h1-16H,17H2;1H/q+1;/p-1
InChIKey XGAFLHRBXWXPIU-UHFFFAOYSA-M
Mol Weight 538.3 g/mol
Molecular Formula C25H18Br2N2S
Exact Mass 535.955746 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbHXtjKvhpi
Name 3-(p-Bromophenyl)-6,8-diphenyl-1,3,4-thiadiazino[1,2-a]pyridinium bromide
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Formula C25H18Br2N2S
InChI InChI=1S/C25H18BrN2S.BrH/c26-22-13-11-19(12-14-22)23-17-29-25-16-21(18-7-3-1-4-8-18)15-24(28(25)27-23)20-9-5-2-6-10-20;/h1-16H,17H2;1H/q+1;/p-1
InChIKey XGAFLHRBXWXPIU-UHFFFAOYSA-M
Molecular Weight 538.301 g/mol
SMILES [Br-].C1(=N[n+]2c(SC1)cc(cc2-c1ccccc1)-c1ccccc1)c1ccc(Br)cc1
SPLASH splash10-00b9-0131900000-b61867872b0d7e68ba1c
Source of Spectrum Y4-77-250-10
Wiley ID 1512905