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1-[N-Benzyl-N-[3-bromo-5-(1-benzothiophen-3-yl)pyrazin-2-yl]amino]pyridinium bromide
SpectraBase Compound ID IOJUODbVG5c
InChI InChI=1S/C24H18BrN4S.BrH/c25-23-24(26-15-21(27-23)20-17-30-22-12-6-5-11-19(20)22)29(28-13-7-2-8-14-28)16-18-9-3-1-4-10-18;/h1-15,17H,16H2;1H/q+1;/p-1
InChIKey CDQHHZZWJKCEII-UHFFFAOYSA-M
Mol Weight 554.3 g/mol
Molecular Formula C24H18Br2N4S
Exact Mass 551.961894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8lnUisyqv7
Name 1-[N-Benzyl-N-[3-bromo-5-(1-benzothiophen-3-yl)pyrazin-2-yl]amino]pyridinium bromide
Appearance Beige solid
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Formula C24H18Br2N4S
InChI InChI=1S/C24H18BrN4S.BrH/c25-23-24(26-15-21(27-23)20-17-30-22-12-6-5-11-19(20)22)29(28-13-7-2-8-14-28)16-18-9-3-1-4-10-18;/h1-15,17H,16H2;1H/q+1;/p-1
InChIKey CDQHHZZWJKCEII-UHFFFAOYSA-M
Instrument Name Hewlett-Packard 5988A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.720
Molecular Weight 554.304 g/mol
Reported Formula C19H15(79)BrN3S
SMILES [Br-].c1cc2c(cc1)c(cs2)-c1cnc(c(n1)Br)N(Cc1ccccc1)[n+]1ccccc1
SPLASH splash10-0006-1958000000-d164da1b10970e329c8b
Source of Spectrum ARK-2014-330-9d
Wiley ID 1845647