| SpectraBase Spectrum ID |
Eqp9YXTFPXN |
| Name |
8-(Phenyl)-7-(phenylamino)-3-methyl-8H-1,2,4-triazolo[5,1-C][1,2,4]triazin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.122909094 u |
| Formula |
C17H14N6O |
| InChI |
InChI=1S/C17H14N6O/c1-12-15(24)23-17(20-19-12)22(14-10-6-3-7-11-14)16(21-23)18-13-8-4-2-5-9-13/h2-11H,1H3,(H,18,21) |
| InChIKey |
BPBXURMSYHWMQI-UHFFFAOYSA-N |
| Molecular Weight |
318.340 g/mol |
| SMILES |
C12=NN=C(C(N2N=C(N1C=1C=CC=CC1)NC=1C=CC=CC1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93821 |
![8-(Phenyl)-7-(phenylamino)-3-methyl-8H-1,2,4-triazolo[5,1-c][1,2,4]triazin-4-one](/api/spectrum/Eqp9YXTFPXN/structure.png?h=300&w=458 "8-(Phenyl)-7-(phenylamino)-3-methyl-8H-1,2,4-triazolo[5,1-c][1,2,4]triazin-4-one")
