![7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 3-ethyl-6-phenyl-](/api/spectrum/4a8hMiMS2Yx/structure.png?h=300&w=458 "7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 3-ethyl-6-phenyl-")
| SpectraBase Compound ID | 1XbzU8zy7Wo |
|---|---|
| InChI | InChI=1S/C12H12N4S/c1-2-11-13-14-12-16(11)15-10(8-17-12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey | WGAJUFGAPQKOIY-UHFFFAOYSA-N |
| Mol Weight | 244.32 g/mol |
| Molecular Formula | C12H12N4S |
| Exact Mass | 244.078268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4a8hMiMS2Yx |
|---|---|
| Name | 7H-[1,2,4]Triazolo[3,4-B][1,3,4]thiadiazine, 3-ethyl-6-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.078267576 u |
| Formula | C12H12N4S |
| InChI | InChI=1S/C12H12N4S/c1-2-11-13-14-12-16(11)15-10(8-17-12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey | WGAJUFGAPQKOIY-UHFFFAOYSA-N |
| Molecular Weight | 244.316 g/mol |
| SMILES | C=1C=CC(C2=NN3C(=NN=C3CC)SC2)=CC1 |