| SpectraBase Spectrum ID |
K8nWa8GbtFl |
| Name |
1-(4'-Chlorophenacyl)-4-phenyl-1,2,4-triazol-1-ium bromide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H13BrClN3O |
| InChI |
InChI=1S/C16H13ClN3O.BrH/c17-14-8-6-13(7-9-14)16(21)10-20-12-19(11-18-20)15-4-2-1-3-5-15;/h1-9,11-12H,10H2;1H/q+1;/p-1 |
| InChIKey |
IERPSTZKTFLZPR-UHFFFAOYSA-M |
| Molecular Weight |
378.657 g/mol |
| SMILES |
[Br-].c1n[n+](c[n]1-c1ccccc1)CC(c1ccc(Cl)cc1)=O |
| SPLASH |
splash10-0002-0090000000-7c0287f959825a6e995d |
| Source of Spectrum |
H1-51-2216-3 |
| Synonyms |
1-[2-(4-chlorophenyl)-2-oxoethyl]-4-phenyl-4H-1,2,4-triazol-1-ium bromide |
| Wiley ID |
817244 |
