| SpectraBase Spectrum ID |
FOwmygHoHQd |
| Name |
6-oxo-N,1,7-Triphenyl-4,6-dihydro-1H-[1,2,4]triazino[4,3-B][1,2,4,5]tetrazine-3-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.144372813 u |
| Formula |
C23H17N7O2 |
| InChI |
InChI=1S/C23H17N7O2/c31-21(24-17-12-6-2-7-13-17)20-27-29(18-14-8-3-9-15-18)23-26-25-19(22(32)30(23)28-20)16-10-4-1-5-11-16/h1-15H,(H,24,31)(H,27,28) |
| InChIKey |
VVQGAYUFHMXRQK-UHFFFAOYSA-N |
| Molecular Weight |
423.436 g/mol |
| SMILES |
C1(=NN=C2N(N=C(C(NC3=CC=CC=C3)=O)NN2C1=O)C=1C=CC=CC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936454 |
![6-Oxo-N,1,7-triphenyl-4,6-dihydro-1H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazine-3-carboxamide](/api/spectrum/FOwmygHoHQd/structure.png?h=300&w=458 "6-Oxo-N,1,7-triphenyl-4,6-dihydro-1H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazine-3-carboxamide")
