SpectraBase Spectrum ID |
DytSEIy5JyX |
Name |
1-(5-methyl-1-phenyl-pyrazol-4-yl)-2-pyridin-1-ium-1-yl-ethanone bromide |
Appearance |
Brown solid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
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 |