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3-(4-Nitrophenyl)-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 CRIHj4XBJgN
InChI InChI=1S/C27H18N5O3S.BrH/c33-26-25-16-21(18-7-3-1-4-8-18)15-24(20-9-5-2-6-10-20)30(25)29-27-31(26)28-23(17-36-27)19-11-13-22(14-12-19)32(34)35;/h1-16H,17H2;1H/q+1;/p-1
InChIKey OATKGKAYAPGAKT-UHFFFAOYSA-M
Mol Weight 572.44 g/mol
Molecular Formula C27H18BrN5O3S
Exact Mass 571.031374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EigGttUORsn
Name 3-(4-Nitrophenyl)-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 C27H18BrN5O3S
InChI InChI=1S/C27H18N5O3S.BrH/c33-26-25-16-21(18-7-3-1-4-8-18)15-24(20-9-5-2-6-10-20)30(25)29-27-31(26)28-23(17-36-27)19-11-13-22(14-12-19)32(34)35;/h1-16H,17H2;1H/q+1;/p-1
InChIKey OATKGKAYAPGAKT-UHFFFAOYSA-M
Molecular Weight 572.437 g/mol
SMILES [Br-].c12[n+](N=C3N(C2=O)N=C(CS3)c2ccc(N(=O)=O)cc2)c(cc(c1)-c1ccccc1)-c1ccccc1
SPLASH splash10-001i-9110000000-12a546a06c656ade601e
Source of Spectrum SO-0-698-4
Synonyms 2-(4-nitrophenyl)-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 1538299