| SpectraBase Compound ID | 5zHK6yFCoDs |
|---|---|
| InChI | InChI=1S/C12H9N5S/c13-4-8-10(7-2-1-3-17-6-7)9(5-14)12(16)18-11(8)15/h1-3,6,10H,15-16H2 |
| InChIKey | KDKVQTKLWWJERB-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 | zGgrI4Tdqj |
|---|---|
| Name | 4H-Thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(3-pyridyl)- |
| 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/c13-4-8-10(7-2-1-3-17-6-7)9(5-14)12(16)18-11(8)15/h1-3,6,10H,15-16H2 |
| InChIKey | KDKVQTKLWWJERB-UHFFFAOYSA-N |
| Molecular Weight | 255.299 g/mol |
| SMILES | C1=CC=C(C=N1)C1C(=C(SC(=C1C#N)N)N)C#N |