| SpectraBase Spectrum ID |
6HY6hnEd8fK |
| Name |
1-(4'-Bromophenacyl)-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 |
C16H13Br2N3O |
| InChI |
InChI=1S/C16H13BrN3O.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 |
GWGCUZXALZYPQI-UHFFFAOYSA-M |
| Molecular Weight |
423.108 g/mol |
| SMILES |
[Br-].c1n[n+](c[n]1-c1ccccc1)CC(c1ccc(Br)cc1)=O |
| SPLASH |
splash10-0006-0009000000-42fbd2b26cce7c729550 |
| Source of Spectrum |
H1-51-2216-3 |
| Synonyms |
1-[2-(4-bromophenyl)-2-oxoethyl]-4-phenyl-4H-1,2,4-triazol-1-ium bromide |
| Wiley ID |
817246 |
