| SpectraBase Compound ID | 1bJTHLnt0u7 |
|---|---|
| InChI | InChI=1S/C12H9N5S/c13-5-8-10(7-1-3-17-4-2-7)9(6-14)12(16)18-11(8)15/h1-4,10H,15-16H2 |
| InChIKey | SDDJYGNIRSAJLJ-UHFFFAOYSA-N |
| Mol Weight | 255.3 g/mol |
| Molecular Formula | C12H9N5S |
| Exact Mass | 255.057866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 30SiGALoZEK |
|---|---|
| Name | 2,6-Diamino-4-(4-pyridinyl)-4H-thiopyran-3,5-dicarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.057866484 u |
| Formula | C12H9N5S |
| InChI | InChI=1S/C12H9N5S/c13-5-8-10(7-1-3-17-4-2-7)9(6-14)12(16)18-11(8)15/h1-4,10H,15-16H2 |
| InChIKey | SDDJYGNIRSAJLJ-UHFFFAOYSA-N |
| SMILES | NC1=C(C(C(=C(S1)N)C#N)C1=CC=NC=C1)C#N |