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3-(4-Methoxyphenyl)-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 3t5JWLP6o8c
InChI InChI=1S/C28H21N4O2S.BrH/c1-34-23-14-12-20(13-15-23)24-18-35-28-30-31-25(21-10-6-3-7-11-21)16-22(19-8-4-2-5-9-19)17-26(31)27(33)32(28)29-24;/h2-17H,18H2,1H3;1H/q+1;/p-1
InChIKey ZDJMRIHLPOJPTD-UHFFFAOYSA-M
Mol Weight 557.47 g/mol
Molecular Formula C28H21BrN4O2S
Exact Mass 556.05686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDKZ54og1oa
Name 3-(4-Methoxyphenyl)-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 C28H21BrN4O2S
InChI InChI=1S/C28H21N4O2S.BrH/c1-34-23-14-12-20(13-15-23)24-18-35-28-30-31-25(21-10-6-3-7-11-21)16-22(19-8-4-2-5-9-19)17-26(31)27(33)32(28)29-24;/h2-17H,18H2,1H3;1H/q+1;/p-1
InChIKey ZDJMRIHLPOJPTD-UHFFFAOYSA-M
Molecular Weight 557.466 g/mol
SMILES [Br-].c12[n+](N=C3N(C2=O)N=C(CS3)c2ccc(OC)cc2)c(cc(c1)-c1ccccc1)-c1ccccc1
SPLASH splash10-001i-9230000000-e55d0befdb86fd43e1c2
Source of Spectrum SO-0-698-4
Synonyms 2-(4-Methoxyphenyl)-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 1538297