| SpectraBase Spectrum ID |
E3amK5THwTl |
| Name |
1-(4'-Bromophenacyl)-4-(4-tolyl)-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 |
C17H15Br2N3O |
| InChI |
InChI=1S/C17H15BrN3O.BrH/c1-13-2-8-16(9-3-13)20-11-19-21(12-20)10-17(22)14-4-6-15(18)7-5-14;/h2-9,11-12H,10H2,1H3;1H/q+1;/p-1 |
| InChIKey |
WZAOLFXBVTUGQG-UHFFFAOYSA-M |
| Molecular Weight |
437.135 g/mol |
| SMILES |
[Br-].c1n[n+](c[n]1-c1ccc(C)cc1)CC(c1ccc(Br)cc1)=O |
| SPLASH |
splash10-0a4i-0009000000-9d2d4d65927483ca14c1 |
| Source of Spectrum |
H1-51-2215-3 |
| Synonyms |
1-(4-bromophenyl)-2-[4-(4-methylphenyl)-1,2,4-triazol-4-ium-1-yl]ethanone bromide
1-(4-bromophenyl)-2-[4-(p-tolyl)-1,2,4-triazol-4-ium-1-yl]ethanone bromide
1-[2-(4-bromophenyl)-2-oxoethyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-1-ium bromide
1-(4-bromophenyl)-2-[4-(4-methylphenyl)-1,2,4-triazol-4-ium-1-yl]ethanone;bromide |
| Wiley ID |
817243 |
