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3-Methyl-5-methylthio-7-(3-methoxystyryl)thiazolo[3,2-a]pyridinium tetrafluoroborate
SpectraBase Compound ID CtQXhWdgfL3
InChI InChI=1S/C18H18NOS2.BF4/c1-13-12-22-18-11-15(10-17(21-3)19(13)18)8-7-14-5-4-6-16(9-14)20-2;2-1(3,4)5/h4-12H,1-3H3;/q+1;-1/b8-7+;
InChIKey OMXAGTNEBCXCPB-USRGLUTNSA-N
Mol Weight 415.27 g/mol
Molecular Formula C18H18BF4NOS2
Exact Mass 415.085899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzVVKm5uCkB
Name 3-Methyl-5-methylthio-7-(3-methoxystyryl)thiazolo[3,2-a]pyridinium tetrafluoroborate
Comments Less than 3 mono-isotopic peaks
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Formula C18H18BF4NOS2
InChI InChI=1S/C18H18NOS2.BF4/c1-13-12-22-18-11-15(10-17(21-3)19(13)18)8-7-14-5-4-6-16(9-14)20-2;2-1(3,4)5/h4-12H,1-3H3;/q+1;-1/b8-7+;
InChIKey OMXAGTNEBCXCPB-USRGLUTNSA-N
Molecular Weight 415.272 g/mol
SMILES [B-](F)(F)(F)F.c12[n+](c(cs2)C)c(cc(c1)\C=C\c1cc(OC)ccc1)SC
SPLASH splash10-03di-0009000000-f467d80069bf767cf8c6
Source of Spectrum F-46-4300-5
Synonyms 3-Methyl-5-methylthio-7-(3-methoxystyryl)thiazolo[3,2-a]pyridinium 7-[(E)-2-(3-methoxyphenyl)ethenyl]-3-methyl-5-(methylsulfanyl)[1,3]thiazolo[3,2-a]pyridin-4-ium tetrafluoroborate
Wiley ID 1375895