| SpectraBase Spectrum ID |
1QfIJr4X8wD |
| Name |
3-Acetyl-1-(4-bromophenyl)-5-phenyl-1H-[1,2,4]triazin-6-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.011289636 u |
| Formula |
C17H12BrN3O2 |
| InChI |
InChI=1S/C17H12BrN3O2/c1-11(22)16-19-15(12-5-3-2-4-6-12)17(23)21(20-16)14-9-7-13(18)8-10-14/h2-10H,1H3 |
| InChIKey |
CXUOBTXRSSMGEH-UHFFFAOYSA-N |
| Molecular Weight |
370.206 g/mol |
| SMILES |
C1(Br)=CC=C(C=C1)N1N=C(C(C)=O)N=C(C1=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847217 |
![3-Acetyl-1-(4-bromophenyl)-5-phenyl-1H-[1,2,4]triazin-6-one](/api/spectrum/1QfIJr4X8wD/structure.png?h=300&w=458 "3-Acetyl-1-(4-bromophenyl)-5-phenyl-1H-[1,2,4]triazin-6-one")
