| SpectraBase Spectrum ID |
Ky6IScIGePm |
| Name |
3-Acetyl-5-methyl-1-phenyl-4,5-dihydro-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 |
231.100776669 u |
| Formula |
C12H13N3O2 |
| InChI |
InChI=1S/C12H13N3O2/c1-8-12(17)15(10-6-4-3-5-7-10)14-11(13-8)9(2)16/h3-8H,1-2H3,(H,13,14) |
| InChIKey |
MWZHFYSDQVAGKM-UHFFFAOYSA-N |
| Molecular Weight |
231.255 g/mol |
| SMILES |
C(=O)(C1=NN(C(C(C)N1)=O)C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960931 |
![3-Acetyl-5-methyl-1-phenyl-4,5-dihydro-1H-[1,2,4]triazin-6-one](/api/spectrum/Ky6IScIGePm/structure.png?h=300&w=458 "3-Acetyl-5-methyl-1-phenyl-4,5-dihydro-1H-[1,2,4]triazin-6-one")
