![3,6-diphenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine](/api/spectrum/AecEeQSe5EZ/structure.png?h=300&w=458 "3,6-diphenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine")
| SpectraBase Compound ID | 7c8l6PD0k0K |
|---|---|
| InChI | InChI=1S/C16H12N4S/c1-3-7-12(8-4-1)14-11-21-16-18-17-15(20(16)19-14)13-9-5-2-6-10-13/h1-10H,11H2 |
| InChIKey | KKMLKOAASIIFME-UHFFFAOYSA-N |
| Mol Weight | 292.36 g/mol |
| Molecular Formula | C16H12N4S |
| Exact Mass | 292.078268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AecEeQSe5EZ |
|---|---|
| Name | 3,6-Diphenyl-7H-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.078267576 u |
| Formula | C16H12N4S |
| InChI | InChI=1S/C16H12N4S/c1-3-7-12(8-4-1)14-11-21-16-18-17-15(20(16)19-14)13-9-5-2-6-10-13/h1-10H,11H2 |
| InChIKey | KKMLKOAASIIFME-UHFFFAOYSA-N |
| SMILES | C=1C=CC(C=2N3N=C(C4=CC=CC=C4)CSC3=NN2)=CC1 |