![7H-[1,2,4]Triazolo[3,4-b][1,3,4]thiadiazine, 6-p-tolyl-](/api/spectrum/7j17s2RpsQe/structure.png?h=300&w=458 "7H-[1,2,4]Triazolo[3,4-b][1,3,4]thiadiazine, 6-p-tolyl-")
| SpectraBase Compound ID | 2wk2uScdQvL |
|---|---|
| InChI | InChI=1S/C11H10N4S/c1-8-2-4-9(5-3-8)10-6-16-11-13-12-7-15(11)14-10/h2-5,7H,6H2,1H3 |
| InChIKey | JWAVMBPIHXYSQS-UHFFFAOYSA-N |
| Mol Weight | 230.29 g/mol |
| Molecular Formula | C11H10N4S |
| Exact Mass | 230.062618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7j17s2RpsQe |
|---|---|
| Name | 7H-[1,2,4]Triazolo[3,4-B][1,3,4]thiadiazine, 6-p-tolyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.062617512 u |
| Formula | C11H10N4S |
| InChI | InChI=1S/C11H10N4S/c1-8-2-4-9(5-3-8)10-6-16-11-13-12-7-15(11)14-10/h2-5,7H,6H2,1H3 |
| InChIKey | JWAVMBPIHXYSQS-UHFFFAOYSA-N |
| Molecular Weight | 230.289 g/mol |
| SMILES | CC1=CC=C(C=C1)C1=NN2C(=NN=C2)SC1 |