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1-(5-methyl-1-phenyl-pyrazol-4-yl)-2-pyridin-1-ium-1-yl-ethanone bromide
SpectraBase Compound ID 7ktKKNA5RFl
InChI InChI=1S/C17H16N3O.BrH/c1-14-16(17(21)13-19-10-6-3-7-11-19)12-18-20(14)15-8-4-2-5-9-15;/h2-12H,13H2,1H3;1H/q+1;/p-1
InChIKey IYPPPXLXZJUDRH-UHFFFAOYSA-M
Mol Weight 358.239 g/mol
Molecular Formula C17H16BrN3O
Exact Mass 357.047675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DytSEIy5JyX
Name 1-(5-methyl-1-phenyl-pyrazol-4-yl)-2-pyridin-1-ium-1-yl-ethanone bromide
Appearance Brown solid
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Formula C17H16BrN3O
InChI InChI=1S/C17H16N3O.BrH/c1-14-16(17(21)13-19-10-6-3-7-11-19)12-18-20(14)15-8-4-2-5-9-15;/h2-12H,13H2,1H3;1H/q+1;/p-1
InChIKey IYPPPXLXZJUDRH-UHFFFAOYSA-M
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2790
Molecular Weight 358.239 g/mol
SMILES c1[n+](cccc1)CC(c1c([n](nc1)-c1ccccc1)C)=O.[Br-]
SPLASH splash10-0a59-9735000000-a298ddec942b2864eadc
Source of Spectrum Y-54-1946-2
Wiley ID 1878364