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2-Methylthio-4-(4-methylphenyl)pyrido[1,2-a]pyrimidin-5-ium tetrafluoroborate
SpectraBase Compound ID 3PInK5vwiBW
InChI InChI=1S/C16H15N2S.BF4/c1-12-6-8-13(9-7-12)14-11-16(19-2)17-15-5-3-4-10-18(14)15;2-1(3,4)5/h3-11H,1-2H3;/q+1;-1
InChIKey JEHKGHKWEHXXET-UHFFFAOYSA-N
Mol Weight 354.17 g/mol
Molecular Formula C16H15BF4N2S
Exact Mass 354.098512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9j0OD8WATEF
Name 2-Methylthio-4-(4-methylphenyl)pyrido[1,2-a]pyrimidin-5-ium tetrafluoroborate
Appearance Colourless crystals
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Formula C16H15BF4N2S
InChI InChI=1S/C16H15N2S.BF4/c1-12-6-8-13(9-7-12)14-11-16(19-2)17-15-5-3-4-10-18(14)15;2-1(3,4)5/h3-11H,1-2H3;/q+1;-1
InChIKey JEHKGHKWEHXXET-UHFFFAOYSA-N
Instrument Name Jeol JMS D-300
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.224
Molecular Weight 354.174 g/mol
SMILES [B-](F)(F)(F)F.c1cc2[n+](cc1)c(cc(n2)SC)-c1ccc(cc1)C
SPLASH splash10-0006-9010000000-ec0a8a3e1cc0d03c38ba
Source of Spectrum ARK-2011-304-5d
Wiley ID 1864420