| SpectraBase Spectrum ID |
92knGuHoK3N |
| Name |
1-Benzyl-4-(4-methylphenacyl)-1H-[1,2,4]triazol-4-um bromide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H18BrN3O |
| InChI |
InChI=1S/C18H18N3O.BrH/c1-15-7-9-17(10-8-15)18(22)12-20-13-19-21(14-20)11-16-5-3-2-4-6-16;/h2-10,13-14H,11-12H2,1H3;1H/q+1;/p-1 |
| InChIKey |
QQCOOPFUXAOXGL-UHFFFAOYSA-M |
| Molecular Weight |
372.266 g/mol |
| SMILES |
[Br-].c1[n+](cn[n]1Cc1ccccc1)CC(c1ccc(C)cc1)=O |
| SPLASH |
splash10-0006-0090000000-03b64db03a6ca23b47e4 |
| Source of Spectrum |
F-56-379-6 |
| Wiley ID |
855557 |
![1-Benzyl-4-(4-methylphenacyl)-1H-[1,2,4]triazol-4-um bromide](/api/spectrum/92knGuHoK3N/structure.png?h=300&w=458 "1-Benzyl-4-(4-methylphenacyl)-1H-[1,2,4]triazol-4-um bromide")
