| SpectraBase Spectrum ID |
GTy9Lyb4IK9 |
| Name |
3H-Imidazo[1,5-B][1,2,4]triazole-2,5-dione, 6-(4-fluorophenyl)-6,7-dihydro-3-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.070953707 u |
| Formula |
C11H9FN4O2 |
| InChI |
InChI=1S/C11H9FN4O2/c1-14-10(17)13-9-6-15(11(18)16(9)14)8-4-2-7(12)3-5-8/h2-5H,6H2,1H3 |
| InChIKey |
CPFVPGJYQNXFJH-UHFFFAOYSA-N |
| Molecular Weight |
248.217 g/mol |
| SMILES |
C1(=O)N=C2CN(C=3C=CC(=CC3)F)C(N2N1C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939336 |
![3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione, 6-(4-fluorophenyl)-6,7-dihydro-3-methyl-](/api/spectrum/GTy9Lyb4IK9/structure.png?h=300&w=458 "3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione, 6-(4-fluorophenyl)-6,7-dihydro-3-methyl-")
